기본 정보
- CAS
67739-23-5- 표준 SMILES
CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O- InChIKey
WBDPSYDYYOULLK-UHFFFAOYSA-N- 분자식
- C18H23NO2S2
- 평균 분자량
- 349.5 g/mol
- 단동위원소 질량
- 349.11702098
이름 및 식별자
- 우선 이름
- 5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone
- IUPAC
- 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
이름 및 동의어
67739-23-55-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinoneC18H23NO2S25-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-2-thioxo-4-thiazolidinone5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene}-2-thioxo-4-thiazolidinoneChemDiv3_001677SCHEMBL7768284DTXSID10388947WBDPSYDYYOULLK-UHFFFAOYSA-N5-(3,5-di-tert-butyl-4-hydroxyphenyl)methylenerhodanine5-[(3,5-bis (1,1-dimethylethyl)-4-hydroxyphenyl)methylene]-2-thioxo-4-thiazolidinone5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
이름 더 보기
5-[[3,5-bis(1,1-dimethylethyl)-4hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene-2-thioxo-4-thiazolidinone5-{[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-methylene}-2-thioxo-4-thiazolidinone5-[(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
데이터베이스 식별자
- CAS
67739-23-5- PubChem CID
- 3071511
- DTXSID
DTXSID10388947
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 504
관련 반응
31건
화합물 노트
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