2-(2-phenylethyl)-1,3-dithiolane

C11H14S2 — CID 26718

IUPAC2-(2-phenylethyl)-1,3-dithiolane
SMILESc1ccc(CCC2SCCS2)cc1
InChIInChI=1S/C11H14S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,11H,6-9H2
InChIKeyFNBDPHKBUBKFCO-UHFFFAOYSA-N
MW210.37 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-phenylethyl)-1,3-dithiolane

2-(2-phenylethyl)-1,3-dithiolane (PubChem CID 26718) has the molecular formula C11H14S2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(2-phenylethyl)-1,3-dithiolane
PubChem CID26718
Molecular FormulaC11H14S2
Molecular Weight210.37 g/mol
Exact Mass210.05
IUPAC Name2-(2-phenylethyl)-1,3-dithiolane
SMILESc1ccc(CCC2SCCS2)cc1
InChIInChI=1S/C11H14S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,11H,6-9H2
InChIKeyFNBDPHKBUBKFCO-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylethyl)-1,3-dithiolane 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

Benzyl Thiocyanate
CID 18170
Dibenzyl sulfide
CID 10867
Benzyl methyl disulfide
CID 12779
1-Phenylethanethiol
CID 141850
2-Phenylethanethiol
CID 78126
Benzyl methyl sulfide
CID 13016
Thiophene, tetrahydro-3-phenyl-, 1-oxide
CID 583027
3-Phenylpropane-1-thiol
CID 90596
2-Phenyl-1,3-dithiane
CID 21547
Benzyl Chloromethyl Sulfide
CID 319930
2,2-Diphenyl-1,3-dithiane
CID 364841
4-Phenyl-3H-1,2-dithiole-3-thione
CID 76882

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1,3-dithiolane?
The IUPAC name of 2-(2-phenylethyl)-1,3-dithiolane (CID 26718) is 2-(2-phenylethyl)-1,3-dithiolane.
What is the SMILES notation for 2-(2-phenylethyl)-1,3-dithiolane?
The canonical SMILES for 2-(2-phenylethyl)-1,3-dithiolane is c1ccc(CCC2SCCS2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-1,3-dithiolane?
The InChIKey is FNBDPHKBUBKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-5,11H,6-9H2.
What are the key properties of 2-(2-phenylethyl)-1,3-dithiolane?
2-(2-phenylethyl)-1,3-dithiolane has a molecular weight of 210.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1,3-dithiolane is sourced from PubChem (CID 26718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).