1- (Cyclohexylthio) cyclohexanecarbonitrile

CAT: 0127-OR1083995-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1083995-03Size:1 g

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CAS Number

1493603-83-0

Purity

95%

Smiles

S (C1 (C#N) CCCCC1) C1CCCCC1

Chemical Information

1-(Cyclohexylthio)cyclohexanecarbonitrile

CAS Number	1493603-83-0
PubChem CID	65139562
IUPAC Name	1-cyclohexylsulfanylcyclohexane-1-carbonitrile
Molecular Formula	C13H21NS
Molecular Weight	223.38
XLogP	4.1
Topological Polar Surface Area	49.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	241

SMILES

C1CCC(CC1)SC2(CCCCC2)C#N

InChI

InChI=1S/C13H21NS/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h12H,1-10H2

InChIKey

CVZGEDDIFKPKQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1493603-83-0

CID: 65139562

Formula: C13H21NS

MW: 223.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.38
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	223.13947085
Monoisotopic Mass	223.13947085
Topological Polar Surface Area	49.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241
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
OR27707-01	Cyclohexanecarbonitrile
OR1093643-01	1-ethyl-Cyclohexanecarbonitrile
OR27708-01	1- (Chloromethyl) cyclohexanecarbonitrile
OR1093061-01	1- (Ethylthio) cyclohexanecarbonitrile
OR1092289-01	1-acetyl-Cyclohexanecarbonitrile
OR1079576-01	1- (Cyanomethyl) Cyclohexanecarbonitrile
OR953808-01	1- (Methylamino) cyclohexanecarbonitrile
OR1092125-01	1- (Phenylthio) cyclohexanecarbonitrile
OR1083840-01	1- (methylthio) cyclohexanecarbonitrile
PC103766-01	1- (4-Fluorophenyl) cyclohexanecarbonitrile

Catalog	Name
445289-01	Cyclohexanecarbonitrile
TRC-N272830-1G	N-(Cyclohexylthio)phthalimide
270505-01	N- (Cyclohexylthio) phthalimide
C30175-01	Cyclohexanecarbonitrile 98%
SDC65769-01	4- (Trifluoromethyl) cyclohexanecarbonitrile
GAA28940-01	1- (Methylamino) cyclohexanecarbonitrile
sc-281943	1- (dimethylamino) cyclohexanecarbonitrile
sc-310208	3- (Cyclohexylthio) -5-nitroaniline
sc-273102	1- (Chloromethyl) cyclohexanecarbonitrile
435243-01	5-Bromo-2- (cyclohexylthio) pyrimidine