2-methyl-2-phenylsulfanylpropanedinitrile

C10H8N2S — CID 86164995

IUPAC2-methyl-2-phenylsulfanylpropanedinitrile
SMILESCC(C#N)(C#N)Sc1ccccc1
InChIInChI=1S/C10H8N2S/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h2-6H,1H3
InChIKeyWSLITGMCEGZBPZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.58
Rot. Bonds2

About 2-methyl-2-phenylsulfanylpropanedinitrile

2-methyl-2-phenylsulfanylpropanedinitrile (PubChem CID 86164995) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-methyl-2-phenylsulfanylpropanedinitrile.

Molecular Properties

Compound Name2-methyl-2-phenylsulfanylpropanedinitrile
PubChem CID86164995
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name2-methyl-2-phenylsulfanylpropanedinitrile
SMILESCC(C#N)(C#N)Sc1ccccc1
InChIInChI=1S/C10H8N2S/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h2-6H,1H3
InChIKeyWSLITGMCEGZBPZ-UHFFFAOYSA-N
XLogP2.58
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-phenylsulfanylpropanedinitrile 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

(E)-3,4-dichloro-2-methyl-2-phenylsulfanylbut-3-enenitrile
CID 102316796
2-phenylsulfanyl-2-propylpentanenitrile
CID 65142233
1-phenylsulfanyl-2-trimethylstannylethane-1,1,2,2-tetracarbonitrile
CID 23265905
2,3-dimethylbut-3-en-2-ylsulfanylbenzene
CID 14947992
2-methylbut-3-yn-2-ylsulfanylbenzene
CID 86002618
(2R,3S)-2,3-bis(2-oxopropyl)-2,3-bis(phenylsulfanyl)butanedinitrile
CID 131864133
acetonitrile;phenylsulfanylbenzene
CID 175483964
trifluoromethylsulfanylbenzene;hydrate
CID 174995188
[1,2-bis(methylsulfanyl)-1,2,2-tris(phenylsulfanyl)ethyl]sulfanylbenzene
CID 22765410
N,N,2-trimethyl-2-phenylsulfanylpropan-1-amine
CID 141093306
2-(4-ethylphenyl)sulfanyl-2-methylpropanenitrile
CID 117034061
2-phenyl-2-phenylsulfanylpropanal
CID 11042917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylsulfanylpropanedinitrile?
The IUPAC name of 2-methyl-2-phenylsulfanylpropanedinitrile (CID 86164995) is 2-methyl-2-phenylsulfanylpropanedinitrile.
What is the SMILES notation for 2-methyl-2-phenylsulfanylpropanedinitrile?
The canonical SMILES for 2-methyl-2-phenylsulfanylpropanedinitrile is CC(C#N)(C#N)Sc1ccccc1.
What is the InChIKey of 2-methyl-2-phenylsulfanylpropanedinitrile?
The InChIKey is WSLITGMCEGZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-10(7-11,8-12)13-9-5-3-2-4-6-9/h2-6H,1H3.
What are the key properties of 2-methyl-2-phenylsulfanylpropanedinitrile?
2-methyl-2-phenylsulfanylpropanedinitrile has a molecular weight of 188.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylsulfanylpropanedinitrile is sourced from PubChem (CID 86164995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).