5-티아졸카르복실산,2-(사이클로프로필아미노)-4-메틸-(9CI)

2-(Cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

HCID 22411062

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 162651-10-7
표준 SMILES: Cc1nc(NC2CC2)sc1C(=O)O
InChIKey: MSFNCZKXXFXTHP-UHFFFAOYSA-N
분자식: C8H10N2O2S
평균 분자량: 198.24 g/mol
단동위원소 질량: 198.04629874

이름 및 식별자

우선 이름: 2-(Cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
IUPAC: 2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
현지명: 5-티아졸카르복실산,2-(사이클로프로필아미노)-4-메틸-(9CI)
영어명: 5-Thiazolecarboxylicacid,2-(cyclopropylamino)-4-methyl-(9CI)
분자식: C8H10N2O2S
분자량: 198.24

이름 및 동의어

162651-10-72-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acidDTXSID30625563RefChem:253651DTXCID00576316MSFNCZKXXFXTHP-UHFFFAOYSA-NMFCD131763915-thiazolecarboxylic acid, 2-(cyclopropylamino)-4-methyl-2-(cyclopropylamino)-4-methylthiazole-5-carboxylic acid5-Thiazolecarboxylicacid,2-(cyclopropylamino)-4-methyl-(9CI)SCHEMBL8553614ALBB-016240

이름 더 보기

5-티아졸카르복실산,2-(사이클로프로필아미노)-4-메틸-(9CI)2-(cyclopropylamino)-4-methyl-5-thiazolecarboxylic acid2-(cyclopropylamino)-4-methyl-thiazole-5-carboxylic acid

BBL032303STK943279AKOS005674017VS-11147CS-0217918EN300-92997G325612-cyclopropylamino-4-methyl-thiazole-5-carboxylic acid

데이터베이스 식별자

CAS: 162651-10-7
PubChem CID: 22411062
DTXSID: DTXSID30625563
EC Number: 980-009-2

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 90.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 220

물리화학적 성질

끓는 점: 396.1 · 396.1±34.0 °C(Predicted)
밀도: 1.528 · 1.528±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.34 · 2.34±0.37(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.