기본 정보
- CAS
344269-80-3- 표준 SMILES
CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1- InChIKey
FRZAVLBJVXYKNZ-UHFFFAOYSA-N- 분자식
- C19H19ClFN3S2
- 평균 분자량
- 408 g/mol
- 단동위원소 질량
- 407.0692958
이름 및 식별자
- 우선 이름
- 4-chlorobenzyl {4-ethyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl sulfide
- IUPAC
- 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazole
- 영어명
- 3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-5-[(3-FLUOROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE
- 분자식
- C19H19ClFN3S2
- 분자량
- 407.96
이름 및 동의어
344269-80-34-chlorobenzyl {4-ethyl-5-[(3-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl sulfide3-(((4-Chlorobenzyl)thio)methyl)-4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazole3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazoleAKOS0050979377H-442S3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(3-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole4-CHLOROBENZYL (4-ETHYL-5-[(3-FLUOROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-5-[(3-FLUOROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-4-ethyl-5-[[(3-fluorophenyl)methyl]thio]-
데이터베이스 식별자
- CAS
344269-80-3- PubChem CID
- 1483479
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 412
물리화학적 성질
- 끓는 점
- 562.3 · 562.3±60.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.2 · 1.20±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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