기본 정보
- 표준 SMILES
CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1- InChIKey
CWBUUUHKRWGIGX-UHFFFAOYSA-N- 분자식
- C17H24N2OS2
- 평균 분자량
- 336.5 g/mol
이름 및 식별자
- 우선 이름
- 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol
- IUPAC
- 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenol
이름 및 동의어
130116-26-62,6-di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol2,6-di-tert-butyl-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]phenolCHEMBL125322,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenolSCHEMBL9177654C17H24N2OS2CWBUUUHKRWGIGX-UHFFFAOYSA-NBDBM50046902MFCD01871581AKOS0050966156P-511S
이름 더 보기
2,6-Di-tert-butyl-4-(5-(methylthio)-1,3,4-thiadiazol-2-yl)phenol2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]thiadiazol-2-yl)-phenol2,6-bis(1,1-dimethylethyl)-4-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-phenol2,6-bis(1,1-dimethylethyl)-4-[5-(methylthio)-1,3,4-thiadiazol-2-yl]phenol
데이터베이스 식별자
- PubChem CID
- 4679898
- ChEMBL
CHEMBL12532- Nikkaji
- J548.060D
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 99.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 354
관련 반응
7건
화합물 노트
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