3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile

C15H12ClNS — CID 64537162

IUPAC3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
SMILESN#CC(CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H12ClNS/c16-14-7-4-8-15(9-14)18-11-13(10-17)12-5-2-1-3-6-12/h1-9,13H,11H2
InChIKeyIDFZPNGDWDNXHX-UHFFFAOYSA-N
MW273.79 g/mol
LogP4.74
Rot. Bonds4

About 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile

3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile (PubChem CID 64537162) has the molecular formula C15H12ClNS and a molecular weight of 273.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
PubChem CID64537162
Molecular FormulaC15H12ClNS
Molecular Weight273.79 g/mol
Exact Mass273.04
IUPAC Name3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
SMILESN#CC(CSc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H12ClNS/c16-14-7-4-8-15(9-14)18-11-13(10-17)12-5-2-1-3-6-12/h1-9,13H,11H2
InChIKeyIDFZPNGDWDNXHX-UHFFFAOYSA-N
XLogP4.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile 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

3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-amino-4-(3-chlorophenyl)sulfanylbutanenitrile
CID 63053572
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
CID 11031921
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 125483548
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
(E)-4-(3-chlorophenyl)sulfanylbut-2-enenitrile
CID 131233629
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148
1-(3-chlorophenyl)sulfanylhex-4-yn-2-amine
CID 66146631

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile?
The IUPAC name of 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile (CID 64537162) is 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile?
The canonical SMILES for 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile is N#CC(CSc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile?
The InChIKey is IDFZPNGDWDNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS/c16-14-7-4-8-15(9-14)18-11-13(10-17)12-5-2-1-3-6-12/h1-9,13H,11H2.
What are the key properties of 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile?
3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile has a molecular weight of 273.79 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile is sourced from PubChem (CID 64537162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).