기본 정보
- CAS
671200-49-0- 표준 SMILES
Cc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)s1- InChIKey
GXTNOHCHTDCVCO-UHFFFAOYSA-N- 분자식
- C17H16FN3OS2
- 평균 분자량
- 361.5 g/mol
이름 및 식별자
- 우선 이름
- 1-(1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanone
- IUPAC
- 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
- 영어명
- 1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
- 분자식
- C17H16FN3OS2
- 분자량
- 361.46
이름 및 동의어
671200-49-01-(1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethanone1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-oneF3285-1113SMSSF-0024259AKOS0008130861-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoneAQ-750/42050616Z251035021-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone1-[1-(o-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(5-methyl-1,3,4-thiadiazol-2-ylthio)-1-ethanoneEthanone, 1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-
데이터베이스 식별자
- CAS
671200-49-0
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 456
물리화학적 성질
- 끓는 점
- 544.8 · 544.8±60.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.59 · -0.59±0.10(Predicted)
화학 및 산업
공급사2 곳
OTAVA-BB[email protected]
SPECS[email protected]
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