(2-Ethyl-6-methylphenyl)thiourea

HCID 7064048CAS 871548-20-8

基本情報

標準SMILES: CCc1cccc(C)c1NC(N)=S
InChIKey: NOTVQPRXZSXDAY-UHFFFAOYSA-N
分子式: C10H14N2S
平均分子量: 194.3 g/mol
単同位体質量: 194.08776963

名称と識別子

優先名称: (2-Ethyl-6-methylphenyl)thiourea
IUPAC: (2-ethyl-6-methylphenyl)thiourea
英語名: (2-ethyl-6-methylphenyl)thiourea
分子式: C10H14N2S
分子量: 194.3

名称と別名

(2-ethyl-6-methylphenyl)thiourea871548-20-8N-(2-ethyl-6-methylphenyl)thioureaSCHEMBL5520049NOTVQPRXZSXDAY-UHFFFAOYSA-N1-(2-ethyl-6-methylphenyl)thioureaAKOS009037272EN300-14925G36654Z111411718Thiourea, N-(2-ethyl-6-methylphenyl)-

データベース識別子

CAS: 871548-20-8
PubChem CID: 7064048
EC Number: 118-537-5

物性

構造計算による物性

XLogP: 1.4
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: 2
重原子数: 13
形式電荷: 0
複雑度: 182

物理化学的性質

沸点: 301.6 · 301.6±52.0 °C(Predicted)
比重(密度): 1.165 · 1.165±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.15 · 13.15±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

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