(4-Methoxy-2-methylphenyl)thiourea

HCID 20481024

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部分構造検索類似構造を探す

基本情報

CAS: 88884-40-6
標準SMILES: COc1ccc(NC(N)=S)c(C)c1
InChIKey: MHKDXGONFFBJBQ-UHFFFAOYSA-N
分子式: C9H12N2OS
平均分子量: 196.27 g/mol
単同位体質量: 196.067034

名称と識別子

優先名称: (4-Methoxy-2-methylphenyl)thiourea
IUPAC: (4-methoxy-2-methylphenyl)thiourea

名称と別名

(4-methoxy-2-methylphenyl)thioureaRefChem:402916854-722-388884-40-61-(4-methoxy-2-methylphenyl)thioureaThiourea, (4-methoxy-2-methylphenyl)-MFCD15525446N-(4-Methoxy-2-methylphenyl)thiourea(4-methoxy-2-methyl-phenyl)-thioureaSCHEMBL3604276SCHEMBL30639441DTXSID10607802

名称をさらに表示

MHKDXGONFFBJBQ-UHFFFAOYSA-N2-Methyl-4-methoxyphenyl thioureaNDA88440(4-methoxy-2-methyl-phenyl)thioureaAKOS012169524CS-0245017EN300-298253G28220

データベース識別子

CAS: 88884-40-6
PubChem CID: 20481024
DTXSID: DTXSID10607802
EC Number: 854-722-3

物性

構造計算による物性

XLogP: 1.3
極性表面積: 79.4 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 186

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.