Basic information
- CAS
89471-17-0- Standard SMILES
CCSc1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1- InChIKey
LEJWGHPGBRILFI-FBMGVBCBSA-N- Molecular formula
- C25H32S
- Average molar mass
- 364.6 g/mol
- Monoisotopic mass
- 364.22247219
Names & identifiers
- Preferred name
- (E)-6-(2-(4-(Ethylthio)phenyl)-1-methylethenyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene
- IUPAC
- 6-[(E)-1-(4-ethylsulfanylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
- English name
- AROTINOIDETHYLSULPHIDE
- Molecular formula
- C25H32S
- Molecular weight
- 364.58658
Names & synonyms
Arotinoid ethylsulfide89471-17-0(E)-6-(2-(4-(Ethylthio)phenyl)-1-methylethenyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene6-[(E)-1-(4-ethylsulfanylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthaleneNaphthalene, 6-(2-(4-(ethylthio)phenyl)-1-methylethenyl)-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-, (E)-orb1986498SCHEMBL11122914AKOS040750576T30139AROTINOIDETHYLSULPHIDE
Database identifiers
- CAS
89471-17-0- PubChem CID
- 6441997
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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