CAS 24017-47-8|ethyl 1-phenyl-1H-1,2,4-triazol-3-yl ethoxy(sulfanylidene)phosphonite|Triazofos|triazophos|三唑磷|Triazophos|Hostathion|Triazophos 85%|HOE 2960|Phosphorothioic Acid O,O-Diethyl O-(1-P...

基本信息

化学结构

分子式

C₁₂H₁₆N₃O₃PS

分子量

313.312501

精确质量

313.06499902

电荷

InChI

InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChIKey

AMFGTOFWMRQMEM-UHFFFAOYSA-N

Canonic Smiles

CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC

Isomeric Smiles

S=P(OCC)(OCC)Oc1ncn(n1)c1ccccc1

计算属性

JChem

LogD (pH = 7.4)

3.45

LogD (pH = 5.5)

3.45

Log P

3.45

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

-2.44

极化表面积

58.40

极化性

30.98

摩尔折射率

82.85

LOG S

-4.81

数据来源

名称和标识

IUPAC标准名

ethyl 1-phenyl-1H-1,2,4-triazol-3-yl ethoxy(sulfanylidene)phosphonite O,O-diethyl O-1-phenyl-1H-1,2,4-triazol-3-yl phosphorothioate

别名

Triazofos三唑磷TriazophosHostathionTriazophos 85%Phosphorothioic Acid O,O-Diethyl O-(1-Phenyl-1H-1,2,4-triazol-3-yl) EsterHostationHOE 2960Triazofos1-Phenyl-3-(O,O-diethylthionophosphoryl)-1,2,4-triazole1-Phenyl-1,2,4-triazolyl-3-(O,O-diethylthionophosphate)triazophosTriazofosHostathionO,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) thiophosphateMethoxonePhosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester

IUPAC传统名

triazophos

名称和标识

数据登录号

PubChem CID

Chemspider ID

维基百科标题

CAS号