产品名称

英文名称：3-(Methylthio)benzoic Acid

同义词

3-(Methylthio)benzoic acid、825-99-0、3-(methylthio) benzoic acid、3-methylsulfanylbenzoic acid、3-(Methylsulfanyl)benzoic acid、Benzoic acid, 3-(methylthio)-、Benzoic acid, m-(methylthio)-、3-Mercaptobenzoic acid S-methyl ether、3-Methylsulfanyl-benzoic acid、NSC

产品性质

CAS编号：825-99-0

分子式：C8H8O2S

分子量：168.21

Beilstein号：10(4)340

MDL号：MFCD00156993

PubChem编号：220329

英文别名：3-(Methylthio)benzoic acid|825-99-0|3-(methylthio) benzoic acid|3-methylsulfanylbenzoic acid|3-(Methylsulfanyl)benzoic acid|Benzoic acid, 3-(methylthio)-|Benzoic acid, m-(methylthio)-|3-Mercaptobenzoic acid S-methyl ether|3-Methylsulfanyl-benzoic acid|NSC

规格或纯度：≥98.0%(GC)

英文名称：3-(Methylthio)benzoic Acid

运输条件：常规运输

产品介绍：ApplicationIt is used in the de novo design of small molecule inhibitors targeting the LEDGF/p75-HIV integrase interaction.

PubChem SID：488188660

IUPAC Name：3-methylsulfanylbenzoic acid

INCHI：InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChi Key：PZGADOOBMVLBJE-UHFFFAOYSA-N

Canonical SMILES：CSC1=CC=CC(=C1)C(=O)O

Isomeric SMILES：CSC1=CC=CC(=C1)C(=O)O

WGK Germany：3

PubChem CID：220329

Reaxy-Rn：508839

溶解性：可溶于甲醇

熔点：128 °C

象形图：

信号词：Warning

危险声明：H315 Causes skin irritationH319 Causes serious eye irritationH335 May cause respiratory irritation

预防措施声明：P261,P305+P351+P338,P280,P302+P352,P321,P405,P501,P264,P271,P304+P340,P403+P233,P362+P364,P264+P265,P337+P317,P332+P317,P319

个人防护装备：Eyeshields， Gloves， type N95 (US)， type P1 (EN143) respirator filter

产品包装