(2S,6S)-2,6-diphenylthiane

C17H18S — CID 7065629

IUPAC(2S,6S)-2,6-diphenylthiane
SMILESc1ccc([C@@H]2CCC[C@@H](c3ccccc3)S2)cc1
InChIInChI=1S/C17H18S/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m0/s1
InChIKeyWGVHOPHBSLEVFP-IRXDYDNUSA-N
MW254.40 g/mol
LogP5.39
Rot. Bonds2

About (2S,6S)-2,6-diphenylthiane

(2S,6S)-2,6-diphenylthiane (PubChem CID 7065629) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S,6S)-2,6-diphenylthiane.

Molecular Properties

Compound Name(2S,6S)-2,6-diphenylthiane
PubChem CID7065629
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name(2S,6S)-2,6-diphenylthiane
SMILESc1ccc([C@@H]2CCC[C@@H](c3ccccc3)S2)cc1
InChIInChI=1S/C17H18S/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m0/s1
InChIKeyWGVHOPHBSLEVFP-IRXDYDNUSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
2,6-diphenyl-1,4-dithiane
CID 15501260
6-phenylthiane-2-thione
CID 100945824
(2S,4aR,8aS)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
CID 11864427
5-phenylthiolane-2-carboxylic acid
CID 146504602
5-phenylthiolane-2-thione
CID 11095521
3,5-diphenylthiolan-2-ol
CID 144931057
6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
CID 14691568
(3S,4aR,8aS)-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isothiochromene
CID 11905188
benzene;cyclopropylbenzene
CID 144638417
2-(4-methylphenyl)-6-phenylthian-4-one
CID 3691467
cyclopentylbenzene;iron
CID 158512704

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-diphenylthiane?
The IUPAC name of (2S,6S)-2,6-diphenylthiane (CID 7065629) is (2S,6S)-2,6-diphenylthiane.
What is the SMILES notation for (2S,6S)-2,6-diphenylthiane?
The canonical SMILES for (2S,6S)-2,6-diphenylthiane is c1ccc([C@@H]2CCC[C@@H](c3ccccc3)S2)cc1.
What is the InChIKey of (2S,6S)-2,6-diphenylthiane?
The InChIKey is WGVHOPHBSLEVFP-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18S/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m0/s1.
What are the key properties of (2S,6S)-2,6-diphenylthiane?
(2S,6S)-2,6-diphenylthiane has a molecular weight of 254.40 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-diphenylthiane is sourced from PubChem (CID 7065629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).