CAS 26638-66-4|3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine|2,6-dichloro-10-methyl-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-9,9-di...

基本信息

化学结构

分子式

C₁₄H₁₁Cl₂NO₂S

分子量

328.21364

精确质量

326.98875496

电荷

InChI

InChI=1S/C14H11Cl2NO2S/c1-17-12-5-3-2-4-10(12)14(16)11-7-6-9(15)8-13(11)20(17,18)19/h2-8,14H,1H3

InChIKey

FHICZIHQHGRZLE-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)S(=O)(=O)N(C)c1c(C2Cl)cccc1

Isomeric Smiles

S1(=O)(=O)N(c2c(C(c3c1cc(cc3)Cl)Cl)cccc2)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.6868682

LogD (pH = 7.4)

3.6868682

Log P

3.6868682

摩尔折射率

80.6834

极化性

31.87289

极化表面积

37.38

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepine3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide3,11-Dichloro-6,11-dihydro-6-methyl-5,5-dioxodibenzo[c,f][1,2]thiazepinerac 3,11-Dichloro-6,11-dihydro-6-methyl-dibenzo[c,f][1,2]thiazepine 5,5-Dioxide5,8-Dichloro-11-methyldibenzo[c,f]thiazepine 10,10-dioxide

IUPAC传统名

2,6-dichloro-10-methyl-9$l^{6}-thia-10-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-9,9-dione 2,6-dichloro-10-methyl-9λ⁶-thia-10-azatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaene-9,9-dione

IUPAC标准名

名称和标识

数据登录号

CAS号

PubChem SID

MDL号

PubChem CID

数据登录号