기본 정보
- CAS
1285597-67-2- 표준 SMILES
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Br)s2)[nH]n1- InChIKey
QLQWEYPHVPPAHX-VIZOYTHASA-N- 분자식
- C13H9BrN4OS2
- 평균 분자량
- 381.3 g/mol
이름 및 식별자
- 우선 이름
- 3-(5-bromothiophen-2-yl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
- IUPAC
- 5-(5-bromothiophen-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
- 영어명
- 3-(5-bromothiophen-2-yl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
- 분자식
- C13H9BrN4OS2
- 분자량
- 381.27
이름 및 동의어
3-(5-bromothiophen-2-yl)-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazideSTK101047AKOS000561811ST021573(E)-3-(5-bromothiophen-2-yl)-N'-(thiophen-2-ylmethylene)-1H-pyrazole-5-carbohydrazide3-(5-bromo-2-thienyl)-N'-[(E)-2-thienylmethylidene]-1H-pyrazole-5-carbohydrazideN-((1E)-2-(2-thienyl)-1-azavinyl)[3-(5-bromo(2-thienyl))pyrazol-5-yl]carboxami de3-(5-BROMOTHIOPHEN-2-YL)-N'-[(E)-(THIOPHEN-2-YL)METHYLIDENE]-1H-PYRAZOLE-5-CARBOHYDRAZIDE3-(5-BROMO-2-THIENYL)-N'-(2-THIENYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE3-(5-BROMO-2-THIENYL)-N'-(2-THIENYLMETHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE1H-Pyrazole-3-carboxylic acid, 5-(5-bromo-2-thienyl)-, (2E)-2-(2-thienylmethylene)hydrazide
데이터베이스 식별자
- CAS
1285597-67-2
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 412
물리화학적 성질
- 밀도
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.94 · 9.94±0.10(Predicted)
화학 및 산업
공급사5 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
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