1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-[2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene]-3-ethyl-2,3-dihydro-
기본 정보
- CAS
71130-53-5- 표준 SMILES
CCN1C(=O)C(=C/C=C2/N(CC)c3cc(Cl)c(Cl)cc3N2CCCCS(=O)(=O)O)C(=O)N(CC)C1=S- InChIKey
KHDKWJBBMBVSON-JMIUGGIZSA-N- 분자식
- C23H28Cl2N4O5S2
- 평균 분자량
- 575.5 g/mol
- 단동위원소 질량
- 574.0878177
이름 및 식별자
- 우선 이름
- 1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-[2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene]-3-ethyl-2,3-dihydro-
- IUPAC
- 4-[(2Z)-5,6-dichloro-2-[2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid
이름 및 동의어
71130-53-51H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-(2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene)-3-ethyl-2,3-dihydro-5-(2-(5,6-Dichloro-1-ethyl-3-(4-sulfobutyl)-2-benzimidazolinylidene)ethylidene)-1,3-diethyl-2-thiobarbituric acid1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-[2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene]-3-ethyl-2,3-dihydro-RefChem:2375581H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-((1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene)-3-ethyl-2,3-dihydro-1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-[(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene]-3-ethyl-2,3-dihydro-DTXSID7072250KHDKWJBBMBVSON-JMIUGGIZSA-N4-{5,6-Dichloro-2-[2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylidene]-3-ethyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl}butane-1-sulfonic acid
데이터베이스 식별자
- CAS
71130-53-5- PubChem CID
- 6438000
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,020
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-[2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene]-3-ethyl-2,3-dihydro-: INACTIVE
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