4-티아졸카르복실산,2-(1-메틸에틸)-(9CI)

2-(Propan-2-yl)-1,3-thiazole-4-carboxylic acid

HCID 22573065

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 234445-61-5
표준 SMILES: CC(C)c1nc(C(=O)O)cs1
InChIKey: XHYVJUUPYNCLHY-UHFFFAOYSA-N
분자식: C7H9NO2S
평균 분자량: 171.22 g/mol
단동위원소 질량: 171.03539953

이름 및 식별자

우선 이름: 2-(Propan-2-yl)-1,3-thiazole-4-carboxylic acid
IUPAC: 2-propan-2-yl-1,3-thiazole-4-carboxylic acid
현지명: 4-티아졸카르복실산,2-(1-메틸에틸)-(9CI)
영어명: 4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI)
분자식: C7H9NO2S
분자량: 171.22

이름 및 동의어

234445-61-52-(propan-2-yl)-1,3-thiazole-4-carboxylic acidDTXSID00626623RefChem:254674DTXCID30577376831-809-42-Isopropylthiazole-4-carboxylic acid2-isopropyl-1,3-thiazole-4-carboxylic acid2-propan-2-yl-1,3-thiazole-4-carboxylic acidMFCD090552284-Thiazolecarboxylic acid, 2-(1-methylethyl)-SCHEMBL314037

이름 더 보기

4-티아졸카르복실산,2-(1-메틸에틸)-(9CI)Febuxostat Impurity 1432-isopropyl-4-thiazolecarboxylic acid2-propan-2-yl-4-thiazolecarboxylic acidCypermethrin Impurity 17 (Fenpropathrin)2 - isopropyl-4 - carboxylic acid thiazol4-Thiazolecarboxylicacid, 2-(1-Methylethyl)4-Thiazolecarboxylicacid,2-(1-methylethyl)-(9CI)

XHYVJUUPYNCLHY-UHFFFAOYSA-NALBB-000144STK500776AKOS0051708962-isopropyl-thiazole-4-carboxylic acidCS-W006653DS-17781SY042864

데이터베이스 식별자

CAS: 234445-61-5
PubChem CID: 22573065
DTXSID: DTXSID00626623
EC Number: 831-809-4

물성

구조 계산 물성

XLogP: 2
극성 표면적: 78.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 161

물리화학적 성질

끓는 점: 297.7 · 297.7±13.0 °C(Predicted)
밀도: 1.27 · 1.270±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.16 · 4.16±0.10(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)

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

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2934100090
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도2-Isopropylthiazole-4-carboxylic Acid is a chemical reactant used in the preparation of new M3 muscarinic antagonists. Also used in the novel synthesis of Cystothiazole C which is a potential antifungal agent.