3,3-diphenylprop-2-ene-1-thiol

C15H14S — CID 87371964

IUPAC3,3-diphenylprop-2-ene-1-thiol
SMILESSCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14S/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyULKZQPZUJIWPLO-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.05
Rot. Bonds3

About 3,3-diphenylprop-2-ene-1-thiol

3,3-diphenylprop-2-ene-1-thiol (PubChem CID 87371964) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 3,3-diphenylprop-2-ene-1-thiol.

Molecular Properties

Compound Name3,3-diphenylprop-2-ene-1-thiol
PubChem CID87371964
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name3,3-diphenylprop-2-ene-1-thiol
SMILESSCC=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14S/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2
InChIKeyULKZQPZUJIWPLO-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,3-diphenylprop-2-ene-1-thiol 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

N-(3,3-diphenylprop-2-enyl)hydroxylamine
CID 10775571
(4-bromo-1-phenylbut-1-enyl)benzene
CID 10401774
[2-(2,2-diphenylethenyldiselanyl)-1-phenylethenyl]benzene
CID 134932536
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377
1-phenylhepta-1,6-dienylbenzene
CID 11021254
(Z)-3-(4-bromophenyl)-3-phenylprop-2-en-1-ol
CID 22270289
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
CID 174797148
bromo-(3,3-diphenylprop-2-enyl)-triphenyl-lambda5-phosphane
CID 13328743
N-methyl-4,4-diphenylbut-3-enamide
CID 10824648
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
4-(1-phenylpent-1-enyl)phenol
CID 57219514

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylprop-2-ene-1-thiol?
The IUPAC name of 3,3-diphenylprop-2-ene-1-thiol (CID 87371964) is 3,3-diphenylprop-2-ene-1-thiol.
What is the SMILES notation for 3,3-diphenylprop-2-ene-1-thiol?
The canonical SMILES for 3,3-diphenylprop-2-ene-1-thiol is SCC=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylprop-2-ene-1-thiol?
The InChIKey is ULKZQPZUJIWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2.
What are the key properties of 3,3-diphenylprop-2-ene-1-thiol?
3,3-diphenylprop-2-ene-1-thiol has a molecular weight of 226.34 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylprop-2-ene-1-thiol is sourced from PubChem (CID 87371964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).