2-hydroxy-4- (methylthio) butanenitrile

CAT: 1299-RG-H250435-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-H250435-01Size:10 mg

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CAS Number

17773-41-0

Synonyms

2-hydroxy-4- (methylthio) butanenitrile

Molecular Formula

C5H9NOS

Molecular Weight

131.19

Product Name Synonym

2-hydroxy-4- (methylthio) butanenitrile

Chemical Information

Butanenitrile, 2-hydroxy-4-(methylthio)-

CAS Number	17773-41-0
PubChem CID	87302
IUPAC Name	2-hydroxy-4-methylsulfanylbutanenitrile
Molecular Formula	C5H9NOS
Molecular Weight	131.20
XLogP	0.4
Topological Polar Surface Area	69.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	95

SMILES

CSCCC(C#N)O

InChI

InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3

InChIKey

VWWOJJANXYSACS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17773-41-0

CID: 87302

Formula: C5H9NOS

MW: 131.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.20
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	131.04048508
Monoisotopic Mass	131.04048508
Topological Polar Surface Area	69.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	95.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-H250500-01	2-Hydroxy-4- (Methylthio) Butanamide
RG-A260134-01	2-Hydroxy-4- (Methylthio) Butanoic Acid
RG-E140292-01	Ethyl 2-hydroxy-4- (methylthio) butanoate
RG-A262948-01	2- (3,4-Dimethoxyphenyl) Butanenitrile
RG-E140937-01	2-hydroxy-3- (methylthio) naphthalene-1,4-dione
RG-A261881-01	4- (Methylthio) Benzaldehyde
RG-E242650-01	4,6-dimethoxy-2- (methylthio) pyrimidine
RG-E141001-01	2- (methylthio) aniline
RG-P022594-01	(4- (Methylthio) Phenyl) Methanol
RG-H250456-01	4-Hydroxy-4-Methylpyrrolidin-2-One

Catalog	Name
OR1069877-01	2-Hydroxy-4- (methylthio) butanamide
TRC-H951065-25MG	3-Hydroxy-4-(1-naphthyloxy)-butanenitrile
425956-01	3-Hydroxy-4- (1-naphthyloxy) -butanenitrile
AKB21303-01	4- (2-Methoxyethoxy) butanenitrile
RDA55219-01	4- (2-Chlorophenyl) butanenitrile
PBA06610-01	2- (4-Chlorophenyl) butanenitrile
sc-357756A	4-Hydroxy-2- (methylthio) -6-phenylpyrimidine
BUP19038	Calcium 2-hydroxy-4- (methylthio) butanoate
sc-486870	2-Hydroxy-4- (methylthio) butyric Acid
OR8454-01	2-Hydroxy-4- (methylthio) benzoic acid