5-아미노-3-메틸이소티아졸염산염

3-Methylisothiazol-5-ylamine hydrochloride

HCID 2723918CAS 52547-00-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(N)sn1.Cl
InChIKey: ZRTGHKVPFXNDHE-UHFFFAOYSA-N
분자식: C4H7ClN2S
평균 분자량: 150.63 g/mol
단동위원소 질량: 150.0018471

이름 및 식별자

우선 이름: 3-Methylisothiazol-5-ylamine hydrochloride
IUPAC: 3-methyl-1,2-thiazol-5-amine;hydrochloride
현지명: 5-아미노-3-메틸이소티아졸염산염
영어명: 5-Amino-3-methylisothiazole hydrochloride
분자식: C4H7ClN2S
분자량: 150.63

이름 및 동의어

3-Methylisothiazol-5-ylamine hydrochloride5-Isothiazolamine, 3-methyl-, hydrochloride (1:1)RefChem:504269257-997-252547-00-95-Amino-3-methylisothiazole hydrochloride3-methylisothiazol-5-amine hydrochloride5-Amino-3-methyl-isothiazole hydrochloride5-amino-3-methylisothiazole hcl3-methyl-isothiazol-5-ylamine hydrochloride3-methyl-1,2-thiazol-5-amine HydrochlorideMFCD00012716

이름 더 보기

5-아미노-3-메틸이소티아졸염산염TIMTEC-BB SBB004066LABOTEST-BB LT000807925-AMINO-3-METHYL ISOTHIAZOLE HCLisothiazol-5-aMine (Hydrochloride)5-amino-3-MethylisothozoleHydrochloride3-methyl-5-isothiazolaminehydrochloride3-AMINO-5-METHYLISOTHIAZOLE HYDROCHLORIDE

3-methyl-1,2-thiazol-5-amine;hydrochloride3-methyl-5-amino-isothiazole hcl5-ISOTHIAZOLAMINE, 3-METHYL-, MONOHYDROCHLORIDE3-methylisothiazole-5-ylamine, chloride3-methylisothiazol-5-amine;hydrochlorideH2NFR7BJQ3SCHEMBL1870273-Methylisothiazol-5-amine HCl

데이터베이스 식별자

CAS: 52547-00-9
PubChem CID: 2723918
DTXSID: DTXSID60966976
UNII: H2NFR7BJQ3
EC Number: 257-997-2

물성

구조 계산 물성

극성 표면적: 67.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66

물리화학적 성질

녹는점: 300 °C · 300 °C(lit.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder
BRN: 3689447 · 3689447
InChI: InChI=1S/C4H6N2S.ClH/c1-3-2-4(5)7-6-3;/h2H,5H2,1H3;1H
InChIKey: ZRTGHKVPFXNDHE-UHFFFAOYSA-N
SMILES: C1(C)=NSC(N)=C1.Cl

화학적 성질

5-AMINO-3-METHYLISOTHIAZOLE HYDROCHLORIDE is white to light yellow crystal powde

안전 및 규제

안전 데이터

wgk: 3
rtecs: NX8150300
HS 번호: 2930909899
safety_code: 22-24/25
F 고인화성물질: 10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-AMINO-3-METHYLISOTHIAZOLE HYDROCHLORIDE is used for pharmacological studies as a precursor for:• ;MMP12 inhibitors1• ;Aurora kinase inhibitors2• ;N-Heterocyclic indolyl glyoxylamides as anticancer agents3