기본 정보
- CAS
400087-26-5- 표준 SMILES
Cn1c(SCc2nc3cc(F)ccc3s2)nnc1-c1cc2c(-c3ccccc3)nn(C)c2s1- InChIKey
XDTBIULAUHGCAO-UHFFFAOYSA-N- 분자식
- C23H17FN6S3
- 평균 분자량
- 492.6 g/mol
- 단동위원소 질량
- 492.06608625
이름 및 식별자
- 우선 이름
- 5-fluoro-2-{[(4-methyl-5-{1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-benzothiazole
- IUPAC
- 5-fluoro-2-[[4-methyl-5-(1-methyl-3-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
- 영어명
- 5-fluoro-2-({[4-methyl-5-(1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-benzothiazole
- 분자식
- C23H17FN6S3
- 분자량
- 492.61
이름 및 동의어
400087-26-55-fluoro-2-{[(4-methyl-5-{1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3-benzothiazole5-fluoro-2-({[4-methyl-5-(1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-benzothiazole5-fluoro-2-[[4-methyl-5-(1-methyl-3-phenylthieno[2,3-c]pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazoleAKOS0051010217M-620S(5-fluoro-1,3-benzothiazol-2-yl)methyl 4-methyl-5-(1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-4H-1,2,4-triazol-3-yl suBenzothiazole, 5-fluoro-2-[[[4-methyl-5-(1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
데이터베이스 식별자
- CAS
400087-26-5- PubChem CID
- 3841774
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 687
물리화학적 성질
- 끓는 점
- 726.9 · 726.9±70.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.36 · 0.36±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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