기본 정보
- CAS
312496-81-4- 표준 SMILES
CCOC(=O)c1nnn(-c2nonc2N)c1CSc1nc[nH]n1- InChIKey
QYBOJMNFBWEXAA-UHFFFAOYSA-N- 분자식
- C10H11N9O3S
- 평균 분자량
- 337.32 g/mol
- 단동위원소 질량
- 337.07055642
이름 및 식별자
- 우선 이름
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
- IUPAC
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)triazole-4-carboxylate
- 영어명
- ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
- 분자식
- C10H11N9O3S
- 분자량
- 337.31784
이름 및 동의어
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,2,4-triazol-3-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylateSTK758393AKOS001736429ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)triazole-4-carboxylateST108848AG-205/37159048SR-01000520536SR-01000520536-1ETHYL 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(1H-1,2,4-TRIAZOL-3-YLSULFANYL)METHYL]-1,2,3-TRIAZOLE-4-CARBOXYLATEethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4H-1,2,4-triazol-3-ylthio)methyl]-1H-1,2,3-triazole-4-carboxylateethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
데이터베이스 식별자
- CAS
312496-81-4- PubChem CID
- 1824548
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 419
화학 및 산업
공급사1 곳
SPECS[email protected]
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