5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-2-thioxo-4-thiazolidinone

HCID 3071511

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

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