3-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
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기본 정보
- CAS
344272-59-9- 표준 SMILES
CCn1c(CS(=O)Cc2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1- InChIKey
FJYGJQQUVASPQQ-UHFFFAOYSA-N- 분자식
- C19H18Cl2N4O3S2
- 평균 분자량
- 485.4 g/mol
- 단동위원소 질량
- 484.0197382
이름 및 식별자
- 우선 이름
- 3-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
- IUPAC
- 3-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
- 영어명
- 2,4-DICHLOROBENZYL (4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFOXIDE
- 분자식
- C19H18Cl2N4O3S2
- 분자량
- 485.41
이름 및 동의어
344272-59-93-{[(2,4-dichlorobenzyl)sulfinyl]methyl}-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole3-[(2,4-dichlorophenyl)methylsulfinylmethyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole3-{[(2,4-dichlorophenyl)methanesulfinyl]methyl}-4-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazoleAKOS0050976877H-494S3-(((2,4-Dichlorobenzyl)sulfinyl)methyl)-4-ethyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole3-([(2,4-DICHLOROBENZYL)SULFINYL]METHYL)-4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE2,4-DICHLOROBENZYL (4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFOXIDE4H-1,2,4-Triazole, 3-[[[(2,4-dichlorophenyl)methyl]sulfinyl]methyl]-4-ethyl-5-[[(4-nitrophenyl)methyl]thio]-
데이터베이스 식별자
- CAS
344272-59-9- PubChem CID
- 1483497
물성
구조 계산 물성보충 중
- XLogP
- 3.8
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 593
물리화학적 성질
- 끓는 점
- 750 · 750.0±70.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.5 · 0.50±0.10(Predicted)
관련 반응
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