2-methyl-2-methylsulfanylbutanenitrile

C6H11NS — CID 20732724

IUPAC2-methyl-2-methylsulfanylbutanenitrile
SMILESCCC(C)(C#N)SC
InChIInChI=1S/C6H11NS/c1-4-6(2,5-7)8-3/h4H2,1-3H3
InChIKeyNVZHOOYHKWAPGK-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-2-methylsulfanylbutanenitrile

2-methyl-2-methylsulfanylbutanenitrile (PubChem CID 20732724) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylbutanenitrile
PubChem CID20732724
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-methyl-2-methylsulfanylbutanenitrile
SMILESCCC(C)(C#N)SC
InChIInChI=1S/C6H11NS/c1-4-6(2,5-7)8-3/h4H2,1-3H3
InChIKeyNVZHOOYHKWAPGK-UHFFFAOYSA-N
XLogP2.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Methylsulfanyl)pentanenitrile
CID 93320
Butanenitrile, 4-methylthio-
CID 100962
Propanenitrile, 2-methyl-2-(methylthio)-
CID 119417
1-(Methylsulfanyl)cyclopropane-1-carbonitrile
CID 22102235
3-Methylthiobutyl cyanide
CID 126971417
4,4,4-Trifluoro-2-methyl-2-methylsulfanylbutanenitrile
CID 123770431
2-[Fluoro(dimethyl)-lambda4-sulfanyl]-2-methylbutanenitrile
CID 131971167
2-[Difluoro(methyl)-lambda4-sulfanyl]-2-methylbutanedinitrile
CID 131971182
2-[Fluoro(dimethyl)-lambda4-sulfanyl]-2-methylbutanedinitrile
CID 131971201
3-[Fluoro(dimethyl)-lambda4-sulfanyl]-2-methylbutanenitrile
CID 131971215
3-[Difluoro(methyl)-lambda4-sulfanyl]-3-methylbutanenitrile
CID 131971217
3-[Fluoro(dimethyl)-lambda4-sulfanyl]-3-methylbutanenitrile
CID 131971219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanylbutanenitrile?
The IUPAC name of 2-methyl-2-methylsulfanylbutanenitrile (CID 20732724) is 2-methyl-2-methylsulfanylbutanenitrile.
What is the SMILES notation for 2-methyl-2-methylsulfanylbutanenitrile?
The canonical SMILES for 2-methyl-2-methylsulfanylbutanenitrile is CCC(C)(C#N)SC.
What is the InChIKey of 2-methyl-2-methylsulfanylbutanenitrile?
The InChIKey is NVZHOOYHKWAPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-6(2,5-7)8-3/h4H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfanylbutanenitrile?
2-methyl-2-methylsulfanylbutanenitrile has a molecular weight of 129.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylbutanenitrile is sourced from PubChem (CID 20732724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).