(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran

C18H17BrS — CID 11067940

IUPAC(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran
SMILESC[C@@]1(c2ccc(Br)cc2)C[C@H](c2ccccc2)C=CS1
InChIInChI=1S/C18H17BrS/c1-18(16-7-9-17(19)10-8-16)13-15(11-12-20-18)14-5-3-2-4-6-14/h2-12,15H,13H2,1H3/t15-,18+/m1/s1
InChIKeySDPLFZWSTXCDAT-QAPCUYQASA-N
MW345.31 g/mol
LogP6.10
Rot. Bonds2

About (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran

(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran (PubChem CID 11067940) has the molecular formula C18H17BrS and a molecular weight of 345.31 g/mol. Its IUPAC name is (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran.

Molecular Properties

Compound Name(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran
PubChem CID11067940
Molecular FormulaC18H17BrS
Molecular Weight345.31 g/mol
Exact Mass344.02
IUPAC Name(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran
SMILESC[C@@]1(c2ccc(Br)cc2)C[C@H](c2ccccc2)C=CS1
InChIInChI=1S/C18H17BrS/c1-18(16-7-9-17(19)10-8-16)13-15(11-12-20-18)14-5-3-2-4-6-14/h2-12,15H,13H2,1H3/t15-,18+/m1/s1
InChIKeySDPLFZWSTXCDAT-QAPCUYQASA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.31
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran
CID 101223983
(1S,2S,3S)-2-(4-bromophenyl)-1-fluoro-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 118237229
(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran
CID 101401487
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
CID 94419650
(4-bromophenyl)-phenyliodanium
CID 6332504
1-(4-bromophenyl)-4-phenylbicyclo[2.2.2]octane
CID 134223965
cis-(1R,2R)-2-(4-bromophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
CID 118483768
(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
CID 177412083
2,4-bis(4-bromophenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 11835254
[4-(1-adamantyl)phenyl]-phenyliodanium
CID 154594349
1-(4-bromophenyl)-1,3,3-trimethyl-2H-indene
CID 155775564

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran?
The IUPAC name of (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran (CID 11067940) is (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran.
What is the SMILES notation for (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran?
The canonical SMILES for (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran is C[C@@]1(c2ccc(Br)cc2)C[C@H](c2ccccc2)C=CS1.
What is the InChIKey of (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran?
The InChIKey is SDPLFZWSTXCDAT-QAPCUYQASA-N. The full InChI is InChI=1S/C18H17BrS/c1-18(16-7-9-17(19)10-8-16)13-15(11-12-20-18)14-5-3-2-4-6-14/h2-12,15H,13H2,1H3/t15-,18+/m1/s1.
What are the key properties of (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran?
(2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran has a molecular weight of 345.31 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(4-bromophenyl)-2-methyl-4-phenyl-3,4-dihydrothiopyran is sourced from PubChem (CID 11067940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).