1- (Methylthio) cyclobutanecarbonitrile

CAT: 0127-OR1083813-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1083813-01Size:250 mg

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CAS Number

1465230-51-6

Purity

95%

Smiles

C (#N) C1 (SC) CCC1

Chemical Information

1-(Methylsulfanyl)cyclobutane-1-carbonitrile

CAS Number	1465230-51-6
PubChem CID	65130992
IUPAC Name	1-methylsulfanylcyclobutane-1-carbonitrile
Molecular Formula	C6H9NS
Molecular Weight	127.21
XLogP	1.4
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	129

SMILES

CSC1(CCC1)C#N

InChI

InChI=1S/C6H9NS/c1-8-6(5-7)3-2-4-6/h2-4H2,1H3

InChIKey

IXZIHYOUGNOYFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1465230-51-6

CID: 65130992

Formula: C6H9NS

MW: 127.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.21
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	127.04557046
Monoisotopic Mass	127.04557046
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	129
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
OR1100624-01	1-[4- (Methylthio) phenyl]cyclobutanecarbonitrile
OR317271	Cyclobutanecarbonitrile
OR1079950-01	1- (Phenylthio) cyclobutanecarbonitrile
OR346591-01	1-Phenyl-cyclobutanecarbonitrile
OR1097354-01	1- (4-Bromobenzoyl) cyclobutanecarbonitrile
PC1024236-01	1- (4-Fluorobenzoyl) cyclobutanecarbonitrile
PC1024233-01	1- (3-Fluorobenzoyl) cyclobutanecarbonitrile
OR1097369-01	1- (3-Bromobenzoyl) cyclobutanecarbonitrile
OR1101182-01	1- (4-Acetylphenyl) cyclobutanecarbonitrile
OR1097357-01	1- (4-Chlorobenzoyl) cyclobutanecarbonitrile

Catalog	Name
445265-01	Cyclobutanecarbonitrile
DBA04959-01	1- (2-Chlorophenyl) cyclobutanecarbonitrile
BDD44121-01	1- (aminomethyl) cyclobutanecarbonitrile hcl
LHB80325-01	1- (4-Aminophenyl) cyclobutanecarbonitrile
VIB82184-01	1-Amino-cyclobutanecarbonitrile hydrochloride
ZCA20515-01	1- (3-Methoxyphenyl) cyclobutanecarbonitrile
TRC-P991330-1G	1-(2-Pyridinyl)cyclobutanecarbonitrile
HY-W700950-01	1- (4-Chlorophenyl) cyclobutanecarbonitrile-d6
TRC-D196745-750MG	1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile
KAC65334-01	1- (2,3-Dichlorophenyl) cyclobutanecarbonitrile