3-[(3-氯丙基)硫基]-4-甲基-5-(4-甲基-1,3-恶唑-5-基)-4H-1,2,4-三唑 | 863679-31-6

分子结构分类

有机化合物 - 有机硫化合物 - 硫醚类

中文名称

3-[(3-氯丙基)硫基]-4-甲基-5-(4-甲基-1,3-恶唑-5-基)-4H-1,2,4-三唑

中文别名

——

英文名称

3-[(3-chloropropyl)sulfanyl]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole

英文别名

3-[(3-Chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole；5-[5-(3-chloropropylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole

3-[(3-氯丙基)硫基]-4-甲基-5-(4-甲基-1,3-恶唑-5-基)-4H-1,2,4-三唑化学式

CAS

863679-31-6

化学式

C₁₀H₁₃ClN₄OS

mdl

——

分子量

272.758

InChiKey

QCZWAZSRPCRGMC-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

463.3±55.0 °C(Predicted)
密度：

1.43±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.7
重原子数：

17
可旋转键数：

5
环数：

2.0
sp3杂化的碳原子比例：

0.5
拓扑面积：

82
氢给体数：

0
氢受体数：

5

SDS

SDS：5080d4973b24cdefb59fb6b1a6631b04

查看

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
4-甲基-5-(4-甲基-1,3-恶唑-5-基)-2,4-二氢-3H-1,2,4-三唑-3-硫酮	4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole-3-thiol	170959-40-7	C₇H₈N₄OS	196.233

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	4-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2-(4-methylphenyl)morpholine	——	C₂₁H₂₇N₅O₂S	413.544
——	2-(4-fluorophenyl)-4-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)morpholine	——	C₂₀H₂₄FN₅O₂S	417.507
——	2-(4-bromophenyl)-4-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)morpholine	——	C₂₀H₂₄BrN₅O₂S	478.413
——	4-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-2-[4-(trifluoromethyl)phenyl]morpholine	——	C₂₁H₂₄F₃N₅O₂S	467.515
——	3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6-phenyl-3-azabicyclo[4.1.0]heptane	1250445-59-0	C₂₂H₂₇N₅OS	409.555
——	(1S,3S)-5-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1-phenyl-5-azaspiro[2.4]heptane	——	C₂₂H₂₇N₅OS	409.555
——	(1S,3R)-5-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1-phenyl-5-azaspiro[2.4]heptane	——	C₂₂H₂₇N₅OS	409.555
——	N-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-phenylbicyclo[3.1.0]hexan-3-amine	1250445-68-1	C₂₂H₂₇N₅OS	409.555
——	3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-phenyl-3-azabicyclo[4.1.0]heptane	1250445-58-9	C₂₂H₂₇N₅OS	409.555
——	(1R,3S)-1-(4-fluorophenyl)-5-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-5-azaspiro-[2.4]heptane	——	C₂₂H₂₆FN₅OS	427.546
——	3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6-[4-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptane	1250445-61-4	C₂₃H₂₆F₃N₅OS	477.554
——	4-methyl-3-(4-methyl-1,3-oxazol-5-yl)-5-({3-[(4R)-4-[4-(trifluoromethyl)phenyl]-octahydrocyclopenta[c]pyrrol-2-yl]propyl}sulfanyl)-4H-1,2,4-triazole	——	C₂₄H₂₈F₃N₅OS	491.58
——	(1S,5R/1R,5S)-1-(4-fluorophenyl)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-3-azabicyclo[3.1.0]hexane	——	C₂₁H₂₄FN₅OS	413.519
——	3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-6-[3-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptane	1250445-63-6	C₂₃H₂₆F₃N₅OS	477.554
——	(1S,3S/1R,3R)-1-(3,5-dichlorophenyl)-5-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-5-azaspiro-[2.4]heptane	——	C₂₂H₂₅Cl₂N₅OS	478.445
——	2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)morpholine	——	C₂₁H₂₃F₄N₅O₂S	485.506
——	(1S,5R/1R,5S)-1-(3-fluorophenyl)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-3-azabicyclo[3.1.0]hexane	——	C₂₁H₂₄FN₅OS	413.519
——	(1S,5R/1R,5S)-1-(3-chlorophenyl)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-3-azabicyclo[3.1.0]hexane	——	C₂₁H₂₄ClN₅OS	429.973
——	(1S,5R)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane	——	C₂₂H₂₄F₃N₅OS	463.527
——	3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[4.1.0]heptane	1250445-60-3	C₂₃H₂₆F₃N₅OS	477.554
——	7-[3-[[4-Methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine	1016976-75-2	C₂₁H₂₄N₆O₂S	424.527
——	3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-6-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.2.0]heptane	——	C₂₂H₂₅F₃N₆OS	478.541
——	4-methyl-3-(4-methyl-1,3-oxazol-5-yl)-5-[(3-{1-[4-(trifluoromethyl)phenyl]-octahydro-1H-pyrrolo[2,3-c]pyridin-6-yl}propyl)sulfanyl]-4H-1,2,4-triazole	——	C₂₄H₂₉F₃N₆OS	506.595
——	(1S,5R/1R,5S)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-{4-[(trifluoromethyl)oxy]phenyl}-3-azabicyclo[3.1.0]hexane	——	C₂₂H₂₄F₃N₅O₂S	479.526
——	(1R,5S/1S,5R)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane	——	C₂₂H₂₄F₃N₅OS	463.527
——	(1S,5R/1R,5S)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-[3-(methyloxy)phenyl]-3-azabicyclo[3.1.0]hexane	——	C₂₂H₂₇N₅O₂S	425.555
——	(1R,3S)-1-(2,4-difluorophenyl)-5-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-5-azaspiro-[2.4]heptane	——	C₂₂H₂₅F₂N₅OS	445.536
——	(1R,3R)-1-(2,4-difluorophenyl)-5-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-5-azaspiro-[2.4]heptane	——	C₂₂H₂₅F₂N₅OS	445.536
——	3-Methyl-7-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-5,6,8,9-tetrahydro-[1,2]oxazolo[5,4-h][3]benzazepine	1016976-73-0	C₂₂H₂₆N₆O₂S	438.553
——	4-methyl-3-(4-methyl-1,3-oxazol-5-yl)-5-[(3-{1-[4-(trifluoromethyl)phenyl]octahydropyrrolo[3,4-b]pyrrol-5-yl}propyl)sulfanyl]-4H-1,2,4-triazole	——	C₂₃H₂₇F₃N₆OS	492.568
——	4-methyl-3-(4-methyl-1,3-oxazol-5-yl)-5-[(3-{1-[4-(trifluoromethyl)phenyl]-octahydro-1H-pyrrolo[3,4-b]pyridin-6-yl}propyl)sulfanyl]-4H-1,2,4-triazole	——	C₂₄H₂₉F₃N₆OS	506.595
——	(1R,5S/1S,5R)-3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-{3-[(trifluoromethyl)oxy]phenyl}-3-azabicyclo[3.1.0]hexane	——	C₂₂H₂₄F₃N₅O₂S	479.526
——	6-bromo-1'-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidine]	——	C₂₃H₂₈BrN₅OS	502.478
——	3-[6-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-octahydro-1H-pyrrolo[3,4-b]pyridin-1-yl]benzonitrile	——	C₂₄H₂₉N₇OS	463.607
——