CAS 138564-60-0|5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaen-8-amine hydrochloride|5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,1...

基本信息

化学结构

分子式

C₁₂H₁₂ClN₃S

分子量

265.76178

精确质量

265.04404608

电荷

InChI

InChI=1S/C12H11N3S.ClH/c1-7-6-8-11(13)14-9-4-2-3-5-10(9)15-12(8)16-7;/h2-6,15H,1H3,(H2,13,14);1H

InChIKey

FDWMAKNNNPSUTL-UHFFFAOYSA-N

Canonic Smiles

Cc1sc2c(c1)C(=Nc1c(N2)cccc1)N.Cl

Isomeric Smiles

N1=C(c2c(Nc3c1cccc3)sc(c2)C)N.Cl

计算属性

JChem

Acid pKa

14.242334

质子受体

质子供体

LogD (pH = 5.5)

2.190866

LogD (pH = 7.4)

2.97009

Log P

3.00179

摩尔折射率

67.7543

极化性

24.411615

极化表面积

50.41

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaen-8-amine hydrochloride 5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),3(7),5,8,11,13-hexaen-8-amine hydrochloride 5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,8,10,12-hexaen-8-amine hydrochloride

IUPAC标准名

别名

2-Methyl-10H-benzo[b]thieno[2,3-e]-[1,4]diazepin-4-amine hydrochloride2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-amine hydrochloride4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochlorideOlanzamine4-Amino-2-methyl-10H-thieno[2,3-b][1,5]-benzodiazapine, Hydrochloride2-Methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine Hydrochloride

名称和标识

数据登录号

PubChem CID

MDL号

PubChem SID

CAS号

数据登录号

化合物性质