(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione

C11H10OS2 — CID 136721068

IUPAC(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
SMILESOC1=CC(=S)S[C@H](c2ccccc2)C1
InChIInChI=1S/C11H10OS2/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-5,7,10,12H,6H2/t10-/m0/s1
InChIKeyYZLAUJHBSUZAHS-JTQLQIEISA-N
MW222.33 g/mol
LogP3.63
Rot. Bonds1

About (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione

(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione (PubChem CID 136721068) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
PubChem CID136721068
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Name(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
SMILESOC1=CC(=S)S[C@H](c2ccccc2)C1
InChIInChI=1S/C11H10OS2/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-5,7,10,12H,6H2/t10-/m0/s1
InChIKeyYZLAUJHBSUZAHS-JTQLQIEISA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 12661900
N-[(2R)-2-phenyl-2,3-dihydrothiochromen-4-ylidene]hydroxylamine
CID 6976349
4-methyl-2-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 11391140
5-phenylthiolane-2-thione
CID 11095521
3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 14142764
6-tert-butyl-2-phenyl-2,3-dihydrothiopyran-4-one
CID 102383505
6-phenylthiane-2-thione
CID 100945824
(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 738643
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989
3,5-diphenylthiolan-2-ol
CID 144931057
tert-butyl 4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepine-5-carboxylate
CID 132936879
(2S)-2-(2-chlorophenyl)-4-piperidin-1-yl-2,3-dihydrothiopyran-6-thione
CID 28950638

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione?
The IUPAC name of (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione (CID 136721068) is (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione.
What is the SMILES notation for (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione?
The canonical SMILES for (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione is OC1=CC(=S)S[C@H](c2ccccc2)C1.
What is the InChIKey of (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione?
The InChIKey is YZLAUJHBSUZAHS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10OS2/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-5,7,10,12H,6H2/t10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione?
(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione has a molecular weight of 222.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione is sourced from PubChem (CID 136721068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).