Methyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)benzoate

HCID 13633563CAS 104224-51-3

기본 정보

표준 SMILES
COC(=O)c1ccc(C)c(SC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIKey
MFDPVINTSGUPRV-UHFFFAOYSA-N
분자식
C24H28O3S
평균 분자량
396.5 g/mol
단동위원소 질량
396.17591576

이름 및 식별자

우선 이름
Methyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)benzoate
IUPAC
methyl 4-methyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)sulfanylbenzoate

이름 및 동의어

MFDPVINTSGUPRV-UHFFFAOYSA-NDTXSID801115818methyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)benzoate104224-51-3methyl 4-methyl-3-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphtoylthio)-benzoatemethyl 4-methyl-3-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphtoylthio)benzoatemethyl 4-methyl-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphtoylthio)-benzoateMethyl 4-methyl-3-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)sulfanyl]benzoateMethyl 4-methyl-3-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]thio]benzoate

데이터베이스 식별자

CAS
104224-51-3
PubChem CID
13633563
DTXSID
DTXSID801115818

물성

구조 계산 물성

XLogP
7.2
극성 표면적
68.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
28

관련 반응

6건

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