기본 정보
- 표준 SMILES
CN1CSC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O- InChIKey
IXCMEASJCGKKQS-UHFFFAOYSA-N- 분자식
- C19H27NO2S
- 평균 분자량
- 333.5 g/mol
이름 및 식별자
- 우선 이름
- 5-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene-N-methyl-4-thiazolidinone
- IUPAC
- 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
이름 및 동의어
5-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene-N-methyl-4-thiazolidinoneRefChem:9131235-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one4-Thiazolidinone,5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-methyl-5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-3-methyl-4-thiazolidinone5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-3-methyl-4-thiazolidinoneorb1700075SCHEMBL8532780IXCMEASJCGKKQS-UHFFFAOYSA-N5-{[3,5-bis(1,1-dimethylethyl)-4hydroxyphenyl]methylene}-3-methyl-4-thiazolidinone
데이터베이스 식별자
- PubChem CID
- 130001
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 65.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 463
관련 반응
8건
화합물 노트
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