(2-(Propan-2-yl)phenyl)thiourea

HCID 2759507

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25343-32-2
표준 SMILES: CC(C)c1ccccc1NC(N)=S
InChIKey: FUKKXMVIGCLNGG-UHFFFAOYSA-N
분자식: C10H14N2S
평균 분자량: 194.3 g/mol
단동위원소 질량: 194.08776945

이름 및 식별자

우선 이름: (2-(Propan-2-yl)phenyl)thiourea
IUPAC: (2-propan-2-ylphenyl)thiourea
영어명: 1-(2-Isopropylphenyl)-2-thiourea
분자식: C10H14N2S
분자량: 194.3

이름 및 동의어

[2-(propan-2-yl)phenyl]thiourea(2-(Propan-2-yl)phenyl)thioureaRefChem:395168674-137-525343-32-21-(2-Isopropylphenyl)-2-thiourea1-(2-isopropylphenyl)thiourea(2-propan-2-ylphenyl)thioureaN-(2-Isopropylphenyl)thioureaThiourea, [2-(1-methylethyl)phenyl]-2-isopropyl phenyl thioureaMFCD00060436

이름 더 보기

(2-Isopropylphenyl)thiourea1-(2-ISOPROPYLPHENYL)PROPIONIC ACIDThiourea, N-[2-(1-methylethyl)phenyl]-

2-Isopropylphenyl-thioureaSCHEMBL1605094SCHEMBL307259543-(2-isopropylphenyl)isothioureaDTXSID60374810N-(2-Isopropylphenyl)thiourea #1-(2-iso-propylphenyl)-2-thioureaN-[2-(Propan-2-yl)phenyl]thiourea

데이터베이스 식별자

CAS: 25343-32-2
PubChem CID: 2759507
DTXSID: DTXSID60374810
EC Number: 674-137-5

물성

구조 계산 물성

XLogP: 1.7
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: 180

물리화학적 성질

녹는점: 128 · 128-130°C
끓는 점: 296.7 · 296.7±33.0 °C(Predicted)
밀도: 1.159 · 1.159±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.1 · 13.10±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.