CAS 292138-59-1 2-Chloro-4-methyl-1,3-thiazole-5-sulfonyl chloride (HCID 12094250)

기본 정보

CAS: 292138-59-1
표준 SMILES: Cc1nc(Cl)sc1S(=O)(=O)Cl
InChIKey: IBMLFZUEKAQELM-UHFFFAOYSA-N
분자식: C4H3Cl2NO2S2
평균 분자량: 232.1 g/mol
단동위원소 질량: 230.8982257

이름 및 식별자

우선 이름: 2-Chloro-4-methyl-1,3-thiazole-5-sulfonyl chloride
IUPAC: 2-chloro-4-methyl-1,3-thiazole-5-sulfonyl chloride
현지명: 2-클로로-4-메틸-티아졸-5-설포닐클로라이드
영어명: 2-Chloro-4-methyl-thiazole-5-sulfonyl chloride
분자식: C4H3Cl2NO2S2
분자량: 232.11

이름 및 동의어

292138-59-12-chloro-4-methyl-1,3-thiazole-5-sulfonyl chlorideDTXSID60477436RefChem:469056DTXCID60428246838-597-22-Chloro-4-methylthiazole-5-sulfonyl chloride2-CHLORO-4-METHYL-THIAZOLE-5-SULFONYL CHLORIDEMFCD066584015-Thiazolesulfonyl chloride, 2-chloro-4-methyl-2-Chloro-4-methylthiazole-5-sulfonylchloride2-chloro-4-methylthiazole-5-sulphonylchloride

이름 더 보기

2-클로로-4-메틸-티아졸-5-설포닐클로라이드SKL603-methyl-1,3-thiazole-5-sulfonyl chloride2-chloro-4-methyl-5-thiazolesulfonyl chloride

5LX9H95VCYSCHEMBL1177587IBMLFZUEKAQELM-UHFFFAOYSA-NAKOS000204945SB36411BS-22231SY168535DB-068084

데이터베이스 식별자

CAS: 292138-59-1
PubChem CID: 12094250
DTXSID: DTXSID60477436
UNII: 5LX9H95VCY
EC Number: 838-597-2

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 83.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 237

물리화학적 성질

InChI: InChI=1S/C4H3Cl2NO2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3
InChIKey: IBMLFZUEKAQELM-UHFFFAOYSA-N
SMILES: S1C(S(Cl)(=O)=O)=C(C)N=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.