3-phenyl-2-phenylsulfanylpropanenitrile

C15H13NS — CID 2825157

IUPAC3-phenyl-2-phenylsulfanylpropanenitrile
SMILESN#CC(Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKeyYMXOXWHWWTXKCQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.91
Rot. Bonds4

About 3-phenyl-2-phenylsulfanylpropanenitrile

3-phenyl-2-phenylsulfanylpropanenitrile (PubChem CID 2825157) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-phenyl-2-phenylsulfanylpropanenitrile.

Molecular Properties

Compound Name3-phenyl-2-phenylsulfanylpropanenitrile
PubChem CID2825157
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name3-phenyl-2-phenylsulfanylpropanenitrile
SMILESN#CC(Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKeyYMXOXWHWWTXKCQ-UHFFFAOYSA-N
XLogP3.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-phenylsulfanylpropanenitrile?
The IUPAC name of 3-phenyl-2-phenylsulfanylpropanenitrile (CID 2825157) is 3-phenyl-2-phenylsulfanylpropanenitrile.
What is the SMILES notation for 3-phenyl-2-phenylsulfanylpropanenitrile?
The canonical SMILES for 3-phenyl-2-phenylsulfanylpropanenitrile is N#CC(Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of 3-phenyl-2-phenylsulfanylpropanenitrile?
The InChIKey is YMXOXWHWWTXKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c16-12-15(11-13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-10,15H,11H2.
What are the key properties of 3-phenyl-2-phenylsulfanylpropanenitrile?
3-phenyl-2-phenylsulfanylpropanenitrile has a molecular weight of 239.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-phenylsulfanylpropanenitrile is sourced from PubChem (CID 2825157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).