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

HCID 13633563CAS 104224-51-3

基本情報

標準SMILES
COC(=O)c1ccc(C)c(SC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIKey
MFDPVINTSGUPRV-UHFFFAOYSA-N
分子式
C24H28O3S
平均分子量
396.5 g/mol
単同位体質量
396.17591576

名称と識別子

優先名称
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

名称と別名

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

データベース識別子

CAS
104224-51-3
PubChem CID
13633563
DTXSID
DTXSID801115818

物性

構造計算による物性

XLogP
7.2
極性表面積
68.7 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
5
重原子数
28

関連反応

6 件

関連ノート

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