5-phenylthiolane-2-thione

C10H10S2 — CID 11095521

IUPAC5-phenylthiolane-2-thione
SMILESS=C1CCC(c2ccccc2)S1
InChIInChI=1S/C10H10S2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWVEOYWMBYUZNBV-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.58
Rot. Bonds1

About 5-phenylthiolane-2-thione

5-phenylthiolane-2-thione (PubChem CID 11095521) has the molecular formula C10H10S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-phenylthiolane-2-thione.

Molecular Properties

Compound Name5-phenylthiolane-2-thione
PubChem CID11095521
Molecular FormulaC10H10S2
Molecular Weight194.32 g/mol
Exact Mass194.02
IUPAC Name5-phenylthiolane-2-thione
SMILESS=C1CCC(c2ccccc2)S1
InChIInChI=1S/C10H10S2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWVEOYWMBYUZNBV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-phenylthiane-2-thione
CID 100945824
(2S,6S)-2,6-diphenylthiane
CID 7065629
2,6-diphenyl-1,4-dithiane
CID 15501260
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
(2S)-4-hydroxy-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 136721068
3,5-diphenylthiolan-2-ol
CID 144931057
5-phenylthiolane-2-carboxylic acid
CID 146504602
(2S,4aR,8aS)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-thiochromene
CID 11864427
3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 14142764
4-(dimethylamino)-2-phenyl-2,3-dihydrothiopyran-6-thione
CID 12661900
4-(2-phenyl-3,4-dihydro-2H-1,6-benzothiazocin-5-yl)morpholine
CID 13163583
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of 5-phenylthiolane-2-thione?
The IUPAC name of 5-phenylthiolane-2-thione (CID 11095521) is 5-phenylthiolane-2-thione.
What is the SMILES notation for 5-phenylthiolane-2-thione?
The canonical SMILES for 5-phenylthiolane-2-thione is S=C1CCC(c2ccccc2)S1.
What is the InChIKey of 5-phenylthiolane-2-thione?
The InChIKey is WVEOYWMBYUZNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 5-phenylthiolane-2-thione?
5-phenylthiolane-2-thione has a molecular weight of 194.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthiolane-2-thione is sourced from PubChem (CID 11095521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).