(2-Ethyl-6-methylphenyl)thiourea

HCID 7064048

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 871548-20-8
표준 SMILES: CCc1cccc(C)c1NC(N)=S
InChIKey: NOTVQPRXZSXDAY-UHFFFAOYSA-N
분자식: C10H14N2S
평균 분자량: 194.3 g/mol
단동위원소 질량: 194.08776963

이름 및 식별자

우선 이름: (2-Ethyl-6-methylphenyl)thiourea
IUPAC: (2-ethyl-6-methylphenyl)thiourea
영어명: (2-ethyl-6-methylphenyl)thiourea
분자식: C10H14N2S
분자량: 194.3

이름 및 동의어

(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)-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 70.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 182

물리화학적 성질

끓는 점: 301.6 · 301.6±52.0 °C(Predicted)
밀도: 1.165 · 1.165±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.15 · 13.15±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.