3- (Methylthio) propanenitrile

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CAT#:0926-FM125181-01Size:0.05 g

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CAS Number

54974-63-9

Synonyms

Propanenitrile, 3- (methylthio) -

MDL Number

MFCD00045646

Smiles

CSCCC#N

Molecular Formula

C4H7NS

Molecular Weight

101.17 g/mol

Controlled

Chemical Information

3-(Methylsulfanyl)propanenitrile

CAS Number	54974-63-9
PubChem CID	548386
IUPAC Name	3-methylsulfanylpropanenitrile
Molecular Formula	C4H7NS
Molecular Weight	101.17
XLogP	0.6
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	61

SMILES

CSCCC#N

InChI

InChI=1S/C4H7NS/c1-6-4-2-3-5/h2,4H2,1H3

InChIKey

INDWVHABTMSBCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54974-63-9

CID: 548386

Formula: C4H7NS

MW: 101.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	101.17
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	101.02992040
Monoisotopic Mass	101.02992040
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BAA07576	3- (Phenylamino) propanenitrile
DCA31424-01	3- (Dimethylphosphoryl) propanenitrile
VAA73222-01	3- (Dipropylamino) propanenitrile
CAA69418-01	3- (Cyclopentyloxy) propanenitrile
ABA31030-01	2- (3-Methoxyphenyl) propanenitrile
ICA93628-01	3- (2-Methylpropoxy) propanenitrile
ICA19634-01	3-[ (Cyclopropylmethyl) amino]propanenitrile
BBA42407-01	3-[ (3-Methoxyphenyl) amino]propanenitrile
KAA13991-01	3- (4-Aminophenyl) propanenitrile
VCA78642-01	3- (2-Methoxyphenoxy) propanenitrile

Catalog	Name
OR23839	3- (methylthio) -2-[ (methylthio) methyl]propanenitrile
OR1079896-01	2-Methyl-2- (methylthio) propanenitrile
OR302367	3- (Cyclopentylamino) propanenitrile
AR-I01011-01	3- (methylamino) propanenitrile
423341-01	3- (Pentylamino) propanenitrile
RG-A262118-01	3- (Methylnitrosoamino) Propanenitrile
sc-344526	3- (benzyloxy) propanenitrile
TRC-P279710-500MG	3-(Pentylamino)propanenitrile
TRC-M287015-100G	3-(Methylamino)-propanenitrile
sc-310266	3- (Heptylamino) propanenitrile