6-메틸이미다조[2,1-B][1,3]티아졸-5-카르복실산

6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid

HCID 329979

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 77628-51-4
표준 SMILES: Cc1nc2sccn2c1C(=O)O
InChIKey: VSQMBZXCDDTZAF-UHFFFAOYSA-N
분자식: C7H6N2O2S
평균 분자량: 182.2 g/mol
단동위원소 질량: 182.01499861

이름 및 식별자

우선 이름: 6-Methylimidazo[2,1-B][1,3]thiazole-5-carboxylic acid
IUPAC: 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
현지명: 6-메틸이미다조[2,1-B][1,3]티아졸-5-카르복실산
영어명: 6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID
분자식: C7H6N2O2S
분자량: 182.2

이름 및 동의어

6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACIDDTXSID603174046-methylimidazo(2,1-b)(1,3)thiazole-5-carboxylic acidRefChem:543998DTXCID00268527867-238-277628-51-46-methylimidazo[2,1-b]thiazole-5-carboxylic acidMFCD02083132Imidazo[2,1-b]thiazole-5-carboxylic acid, 6-methyl-F3199-00856-Methylimidazo[2,1-b][1,3]-thiazole-5-carboxylic acid

이름 더 보기

6-메틸이미다조[2,1-B][1,3]티아졸-5-카르복실산NSC 315244NSC 315239BUTTPARK 154\06-61CHEMBRDG-BB 44029966-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic a6-methylimidazo[2,1-b]thiazole-5-carboxylic acid - [M87411]6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid(SALTDATA: FREE)

6-methylimidazo[2,1-b]1,3-thiazoline-5-carboxylic acid6-methyl-imidazo[2,1-b]thiazole-5-carboxylic acidSCHEMBL269695VSQMBZXCDDTZAF-UHFFFAOYSA-NSMSSF-0054333NSC315239SBB083485AKOS000348637

데이터베이스 식별자

CAS: 77628-51-4
PubChem CID: 329979
DTXSID: DTXSID60317404
EC Number: 867-238-2
Nikkaji: J1.286.761A

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 82.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 212

물리화학적 성질

녹는점: 164 °C · 164 °C
밀도: 1.62 · 1.62±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): -0.66 · -0.66±0.41(Predicted)
물리적 상태: solid
InChI: 1S/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
InChIKey: VSQMBZXCDDTZAF-UHFFFAOYSA-N
SMILES: O=C(O)C1=C(C)N=C2N1C=CS2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning 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+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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.