4-Methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolecarboxylic acid 2-[(methylamino)thioxomethyl]hydrazide
기본 정보
- CAS
685542-52-3- 표준 SMILES
CNC(=S)NNC(=O)c1sc(-c2cc(C)on2)nc1C- InChIKey
KROFPGHAWNKDLJ-UHFFFAOYSA-N- 분자식
- C11H13N5O2S2
- 평균 분자량
- 311.4 g/mol
- 단동위원소 질량
- 311.05106702
이름 및 식별자
- 우선 이름
- 4-Methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolecarboxylic acid 2-[(methylamino)thioxomethyl]hydrazide
- IUPAC
- 1-methyl-3-[[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]amino]thiourea
이름 및 동의어
685542-52-34-Methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolecarboxylic acid 2-[(methylamino)thioxomethyl]hydrazide4-Methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolecarboxylic acid 2-((methylamino)thioxomethyl)hydrazideRefChem:294173MLS000834975CHEMBL1582774DTXSID001114561HMS2794F06N-methyl-2-{[4-methyl-2-(5-methyl-3-isoxazolyl)-1,3-thiazol-5-yl]carbonyl}-1-hydrazinecarbothioamideSMR000461591N-Methyl-2-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-5-carbonyl]hydrazine-1-carbothioamide
데이터베이스 식별자
- CAS
685542-52-3- PubChem CID
- 2745770
- DTXSID
DTXSID001114561- ChEMBL
CHEMBL1582774
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 384
실험 및 물리화학적 성질
Solubility43 [ug/mL] (The mean of the results at pH 7.4)
관련 반응
0건
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