2- (Cyclohexylthio) benzenamine

CAT: 0127-OR77555-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR77555-01Size:100 mg

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CAS Number

37535-87-8

MDL Number

MFCD11167630

Purity

95%

Smiles

NC1=CC=CC=C1SC2CCCCC2

Chemical Information

2-(Cyclohexylthio)benzenamine

CAS Number	37535-87-8
PubChem CID	14771321
IUPAC Name	2-cyclohexylsulfanylaniline
Molecular Formula	C12H17NS
Molecular Weight	207.34
XLogP	3.6
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

C1CCC(CC1)SC2=CC=CC=C2N

InChI

InChI=1S/C12H17NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,13H2

InChIKey

YVEZTEFQPWUZOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37535-87-8

CID: 14771321

Formula: C12H17NS

MW: 207.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.34
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	207.10817072
Monoisotopic Mass	207.10817072
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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
OR30330-01	2- (Cyclohexylthio) -5-nitrobenzaldehyde
OR1083995-01	1- (Cyclohexylthio) cyclohexanecarbonitrile
OR26082	4- (Cyclohexylthio) -3-nitrobenzaldehyde
OR79833-01	2- (Cyclohexylthio) isoindoline-1,3-dione
OR1101267-01	2- (2-Phenylethoxy) benzenamine
OR88972-01	4- (Cyclohexylthio) -3-nitrophenol
OR1054901-01	3- ((Cyclohexylthio) methyl) benzofuran-2-carboxylic acid
PC400064	4- (2,2-Difluorocyclopropyl) benzenamine
PC400062	3- (2,2-Difluorocyclopropyl) benzenamine
PC1007259-01	2-Ethyl-5- (trifluoromethyl) benzenamine

Catalog	Name
TRC-N272830-1G	N-(Cyclohexylthio)phthalimide
270505-01	N- (Cyclohexylthio) phthalimide
sc-310208	3- (Cyclohexylthio) -5-nitroaniline
435243-01	5-Bromo-2- (cyclohexylthio) pyrimidine
T207040-01	Benzenamine-d6
abx181240-01	Benzenamine,4-(chlorodifluoromethoxy)-
GTR19267869-01	2- (DiMethylphosphoryl) benzenamine
283578-01	3-methoxy-Benzenamine
sc-335655	3- (pentafluoroethyl) -benzenamine
431343-01	4-Butyl- (benzenamine-13C6)