기본 정보
- 표준 SMILES
COC(=O)C1(CSC(C)=O)CCOCC1- InChIKey
SBKWLRQWJCVHOH-UHFFFAOYSA-N- 분자식
- C10H16O4S
- 평균 분자량
- 232.3 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-[(acetylsulfanyl)methyl]oxane-4-carboxylate
- IUPAC
- methyl 4-(acetylsulfanylmethyl)oxane-4-carboxylate
이름 및 동의어
235753-82-9methyl 4-[(acetylsulfanyl)methyl]oxane-4-carboxylateMFCD28023535METHYL 4-((ACETYLTHIO)METHYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLATEMethyl 4-[(acetylsulfanyl)methyl]-oxane-4-carboxylatemethyl 4-(acetylsulfanylmethyl)oxane-4-carboxylatemethyl4-[(acetylsulfanyl)methyl]oxane-4-carboxylateSCHEMBL6730542SBKWLRQWJCVHOH-UHFFFAOYSA-NAKOS025393309CK-0031H40884
이름 더 보기
methyl 4-(acetylsulfanylmethyl)tetrahydropyran-4-carboxylateMethyl 4-Acetylsulfanylmethyl-tetrahydropyran-4-carboxylate4-Acetylsulfanylmethyltetrahydropyran-4-carboxylic acid methyl ester2H-Pyran-4-carboxylic acid, 4-[(acetylthio)methyl]tetrahydro-, methylester4-Acetylsulfanylmethyl-tetrahydro-pyran-4-carboxylic acid methyl ester2H-Pyran-4-carboxylic acid, 4-[(acetylthio)methyl]tetrahydro-, methyl ester
데이터베이스 식별자
- PubChem CID
- 23448262
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 77.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 246
관련 반응
12건
연결된 노트
불러오는 중…