(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran

C23H20S — CID 101223989

IUPAC(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
SMILESC1=C(c2ccccc2)S[C@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H20S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-16,21,23H,17H2/t21-,23-/m0/s1
InChIKeyGNVISYFELGPVLX-GMAHTHKFSA-N
MW328.48 g/mol
LogP6.69
Rot. Bonds3

About (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran

(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran (PubChem CID 101223989) has the molecular formula C23H20S and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
PubChem CID101223989
Molecular FormulaC23H20S
Molecular Weight328.48 g/mol
Exact Mass328.13
IUPAC Name(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
SMILESC1=C(c2ccccc2)S[C@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C23H20S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-16,21,23H,17H2/t21-,23-/m0/s1
InChIKeyGNVISYFELGPVLX-GMAHTHKFSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4R)-2-methyl-2,4,6-triphenyl-3,4-dihydrothiopyran
CID 101223983
(2R,4R)-2,4-diphenyl-3,4-dihydro-2H-thiopyran
CID 101401487
2,4,6-triphenyl-4H-thiopyran
CID 629780
N-phenyl-4-(5-phenyl-2,3-dihydrothiophen-2-yl)aniline
CID 71051968
(2S,6S)-2,6-diphenylthiane
CID 7065629
2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 134975750
[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
CID 10425675
(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 136721068
(3aR,5R)-5-phenyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan
CID 15871516
6-phenylthiane-2-thione
CID 100945824
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
2,4-diphenylcyclopent-2-en-1-one
CID 14147527

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran (CID 101223989) is (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran is C1=C(c2ccccc2)S[C@H](c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran?
The InChIKey is GNVISYFELGPVLX-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H20S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-16,21,23H,17H2/t21-,23-/m0/s1.
What are the key properties of (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran?
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran has a molecular weight of 328.48 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 101223989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).