2-아세트아미도-4-(클로로메틸)티아졸

2-Acetamido-4-chloromethylthiazole

HCID 81963CAS 7460-59-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)Nc1nc(CCl)cs1
InChIKey: NBUKMHXINQOFDI-UHFFFAOYSA-N
분자식: C6H7ClN2OS
평균 분자량: 190.65 g/mol
단동위원소 질량: 189.99676152

개요

structure

이름 및 식별자

우선 이름: 2-Acetamido-4-chloromethylthiazole
IUPAC: N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
현지명: 2-아세트아미도-4-(클로로메틸)티아졸
영어명: 2-ACETAMIDO-4-(CHLOROMETHYL)THIAZOLE
분자식: C6H7ClN2OS
분자량: 190.65058

이름 및 동의어

7460-59-52-Acetamido-4-(chloromethyl)thiazole2-Acetamido-4-chloromethylthiazole21SR5XA2HHNSC-30210DTXSID00225574RefChem:84937DTXCID30148065635-773-9N-[4-(Chloromethyl)-1,3-thiazol-2-yl]acetamide2-Acetylamino-4-(chloromethyl)thiazoleN-(4-(Chloromethyl)thiazol-2-yl)acetamide

이름 더 보기

2-아세트아미도-4-(클로로메틸)티아졸Nsc 30210N-[4-(Chloromethyl)-2-thiazolyl]acetamideN-[4-(chloromethyl)-1,3-thiazol-2-yl]ethanamideAcetamide, N-(4-(chloromethyl)-2-thiazolyl)- (8ci)(9ci)

Acetamide, N-[4-(chloromethyl)-2-thiazolyl]-MFCD000224412-Acetamido-4-(chloromethyl)-1,3-thiazoleN-(4-chloromethylthiazol-2-yl)acetamideAcetamide, N-(4-(chloromethyl)-2-thiazolyl)-N-{4-(Chloromethyl)-1,3-thiazol-2-yl}acetamideN-[4-(chloromethyl)thiazol-2-yl]acetamideUNII-21SR5XA2HH

데이터베이스 식별자

CAS: 7460-59-5
PubChem CID: 81963
DTXSID: DTXSID00225574
ChEMBL: CHEMBL340416
UNII: 21SR5XA2HH
EC Number: 635-773-9
Nikkaji: J139.501G

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 70.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 166 · 166-168°C

화학적 성질

Light brown powder

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.