1-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide

HCID 8017342CAS 1004249-31-3

기본 정보

표준 SMILES: Cn1nccc1C(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1
InChIKey: SIRUZDGQTXTKKS-UHFFFAOYSA-N
분자식: C12H12N6O3S
평균 분자량: 320.33 g/mol
단동위원소 질량: 320.06915924

이름 및 식별자

우선 이름: 1-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide
IUPAC: 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea

이름 및 동의어

1004249-31-31-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide1-Methyl-1H-pyrazole-5-carboxylic acid 2-(((4-nitrophenyl)amino)thioxomethyl)hydrazideRefChem:2315332-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thioureaDTXSID601126504STL403544AKOS024282685ST057620(1-methylpyrazol-5-yl)-N-({[(4-nitrophenyl)amino]thioxomethyl}amino)carboxamid e2-(1-Methyl-1H-pyrazole-5-carbonyl)-N-(4-nitrophenyl)hydrazine-1-carbothioamide

이름 더 보기

2-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-N~1~-(4-NITROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE

데이터베이스 식별자

CAS: 1004249-31-3
PubChem CID: 8017342
DTXSID: DTXSID601126504

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 149 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 435

연결된 노트

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