기본 정보
- CAS
512810-97-8- 표준 SMILES
Cc1cc(C(=O)NNC(=S)NCc2ccco2)nn1C- InChIKey
IGPMLKRJYJXQPV-UHFFFAOYSA-N- 분자식
- C12H15N5O2S
- 평균 분자량
- 293.35 g/mol
- 단동위원소 질량
- 293.09464591
이름 및 식별자
- 우선 이름
- 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-(((2-furanylmethyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
- 영어명
- 2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamide
- 분자식
- C12H15N5O2S
- 분자량
- 293.3448
이름 및 동의어
512810-97-81,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-[[(2-furanylmethyl)amino]thioxomethyl]hydrazide1,5-Dimethyl-1H-pyrazole-3-carboxylic acid 2-(((2-furanylmethyl)amino)thioxomethyl)hydrazideRefChem:221317MLS0005505362-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(2-furylmethyl)hydrazinecarbothioamideSMR0001149771-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea2-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)-N-[(furan-2-yl)methyl]hydrazine-1-carbothioamidecid_842829CHEMBL1444333BDBM53760
이름 더 보기
DTXSID501120339STK956158AKOS003749423AK-968/411707051-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-(2-furfuryl)thiourea1-[(1,5-dimethylpyrazol-3-yl)carbonylamino]-3-(furan-2-ylmethyl)thiourea1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-furanylmethyl)thiourea2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-(furan-2-ylmethyl)hydrazinecarbothioamide
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 368
화학 및 산업
공급사1 곳
SPECS[email protected]
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