6-Methyl-4-phenyl-4-thiochromanol
Basic information
- CAS
439111-71-4- Standard SMILES
Cc1ccc2c(c1)C(O)(c1ccccc1)CCS2- InChIKey
HXFKHHWURCSHAE-UHFFFAOYSA-N- Molecular formula
- C16H16OS
- Average molar mass
- 256.4 g/mol
- Monoisotopic mass
- 256.0921863
Names & identifiers
- Preferred name
- 6-Methyl-4-phenyl-4-thiochromanol
- IUPAC
- 6-methyl-4-phenyl-2,3-dihydrothiochromen-4-ol
Names & synonyms
439111-71-46-methyl-4-phenyl-4-thiochromanol6-methyl-4-phenyl-3,4-dihydro-2H-1-benzothiopyran-4-ol6-methyl-4-phenyl-2,3-dihydrothiochromen-4-olNSC405810Oprea1_332886CHEMBL2000107DTXSID8012099206-Methyl-4-phenylthiochroman-4-ol6-methyl-4-phenyl-thiochroman-4-olMFCD03012462AKOS005101589
Show more names
NSC-4058107R-10063,4-Dihydro-6-methyl-4-phenyl-2H-1-benzothiopyran-4-ol
Database identifiers
- CAS
439111-71-4- PubChem CID
- 347254
- DTXSID
DTXSID801209920- ChEMBL
CHEMBL2000107
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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