기본 정보
- CAS
344268-27-5- 표준 SMILES
CC(C)n1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(Br)cc1- InChIKey
VKFUZPGOISZETH-UHFFFAOYSA-N- 분자식
- C20H21BrClN3S2
- 평균 분자량
- 482.9 g/mol
이름 및 식별자
- 우선 이름
- 3-[(4-bromobenzyl)sulfanyl]-5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole
- IUPAC
- 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-propan-2-yl-1,2,4-triazole
- 영어명
- 3-[(4-Bromobenzyl)sulfanyl]-5-([(4-chlorobenzyl)sulfanyl]methyl)-4-isopropyl-4H-1,2,4-triazole
- 분자식
- C20H21BrClN3S2
- 분자량
- 482.89
이름 및 동의어
344268-27-53-[(4-bromobenzyl)sulfanyl]-5-{[(4-chlorobenzyl)sulfanyl]methyl}-4-isopropyl-4H-1,2,4-triazole3-[(4-bromophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methylsulfanylmethyl]-4-propan-2-yl-1,2,4-triazole3-{[(4-bromophenyl)methyl]sulfanyl}-5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazoleAKOS0050980687H-408S3-((4-Bromobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-isopropyl-4H-1,2,4-triazole4-BROMOBENZYL 5-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ISOPROPYL-4H-1,2,4-TRIAZOL-3-YL SULFIDE3-[(4-Bromobenzyl)sulfanyl]-5-([(4-chlorobenzyl)sulfanyl]methyl)-4-isopropyl-4H-1,2,4-triazole4H-1,2,4-Triazole, 3-[[(4-bromophenyl)methyl]thio]-5-[[[(4-chlorophenyl)methyl]thio]methyl]-4-(1-methylethyl)-
데이터베이스 식별자
- CAS
344268-27-5
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 429
물리화학적 성질
- 끓는 점
- 607.9 · 607.9±65.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.16 · 1.16±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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