CAS 97480-60-9 (3,5-Dimethylphenyl)thiourea (HCID 736215)

基本情報

CAS: 97480-60-9
標準SMILES: Cc1cc(C)cc(NC(N)=S)c1
InChIKey: XOAYHDJRYDSPJZ-UHFFFAOYSA-N
分子式: C9H12N2S
平均分子量: 180.27 g/mol
単同位体質量: 180.07211938

名称と識別子

優先名称: (3,5-Dimethylphenyl)thiourea
IUPAC: (3,5-dimethylphenyl)thiourea
現地名: 1-(3,5-ジメチルフェニル)-2-チオ尿素
英語名: 3,5-DIMETHYLPHENYLTHIOUREA
分子式: C9H12N2S
分子量: 180.27

名称と別名

(3,5-Dimethylphenyl)thioureaRefChem:399399623-383-13,5-Dimethylphenylthiourea97480-60-91-(3,5-dimethylphenyl)thioureaN-(3,5-Dimethylphenyl)thioureaMFCD000411731-(3,5-Dimethylphenyl)-2-thioureaNSC637006N-(3,5-dimethylphenyl) thioureaHMS2566B13

名称をさらに表示

1-(3,5-ジメチルフェニル)-2-チオ尿素3,5-ジメチルフェニルチオ尿素5-DiMethylphenylthiourea3,5-Dimethylphenylthiourea,99%Thiourea, N-(3,5-dimethylphenyl)-

Thiourea,N-(3,5-dimethylphenyl)-BBL023764NSC-637006NCI60_012270SMR000254600EN300-067963,5-dimethylphenylFT-0614702

データベース識別子

CAS: 97480-60-9
PubChem CID: 736215
DTXSID: DTXSID50352965
ChEMBL: CHEMBL1334754
EC Number: 623-383-1

物性

構造計算による物性

XLogP: 2.2
極性表面積: 70.1 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 168 · 168-172 °C (lit.)
外見: solid
BRN: 3540063 · 3540063
InChI: 1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChIKey: XOAYHDJRYDSPJZ-UHFFFAOYSA-N
SMILES: Cc1cc(C)cc(NC(N)=S)c1
CAS データベース: 97480 · 97480-60-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 2930909899
risk_code: 22-36/37/38
hazard_code: Xn,T
hazard_note: Toxic
safety_code: 26-36
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

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化合物ノート

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