2-아미노-4-메틸-5-아세틸티아졸

5-Acetyl-2-amino-4-methylthiazole

HCID 720882CAS 30748-47-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1sc(N)nc1C
InChIKey: PKUKCASRNJIQNU-UHFFFAOYSA-N
분자식: C6H8N2OS
평균 분자량: 156.21 g/mol
단동위원소 질량: 156.03573388

이름 및 식별자

우선 이름: 5-Acetyl-2-amino-4-methylthiazole
IUPAC: 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanone
현지명: 2-아미노-4-메틸-5-아세틸티아졸
영어명: 2-Amino-4-methyl-5-acetylthiazole
분자식: C6H8N2OS
분자량: 156.21

이름 및 동의어

5-Acetyl-2-amino-4-methylthiazoleRefChem:531880626-871-230748-47-11-(2-amino-4-methylthiazol-5-yl)ethanone2-Amino-4-methyl-5-acetylthiazole1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethanoneC6H8N2OSEthanone, 1-(2-amino-4-methyl-5-thiazolyl)-MFCD000519521-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)Ethan-1-One5-acetyl-2-amino-4-methyl-1,3-thiazole

이름 더 보기

2-아미노-4-메틸-5-아세틸티아졸5-Acetyl-4-methyl-2-thiazolamine1-(2-amino-4-methylthiazol-5-yl)ethan-1-oneAURORA 8418AKOS BBS-00007949TIMTEC-BB SBB010095IFLAB-BB F0060-0057ASINEX-REAG BAS 003933725-Acetyl-2-amino-4-methylthia

MLS001144161DTXSID30352180HMS2213G215-acety1-2-amino-4-methylthiazole5-acetyl-2-amino-4-methyl thiazoleBBL014152SMR001227310SY049895

데이터베이스 식별자

CAS: 30748-47-1
PubChem CID: 720882
DTXSID: DTXSID30352180
ChEMBL: CHEMBL1321842
EC Number: 626-871-2
Nikkaji: J267.252I

물성

구조 계산 물성

XLogP: 1
극성 표면적: 84.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 268 · 268-272 °C (dec.) (lit.)
끓는 점: 312.8 · 312.8±22.0 °C(Predicted)
밀도: 1.278 · 1.278±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 3.58 · 3.58±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
수용성: 불용성
BRN: 127111 · 127111
InChI: InChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8)
InChIKey: PKUKCASRNJIQNU-UHFFFAOYSA-N
SMILES: C(=O)(C1SC(N)=NC=1C)C

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (10.9%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.