3- (Methylsulfanyl) cyclohexan-1-amine

CAT: 0926-QCC36518-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-QCC36518-02Size:0.5 g

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CAS Number

1315365-18-4

MDL Number

MFCD19382182

Smiles

CSC1CCCC (C1) N

Molecular Formula

C7H15NS

Molecular Weight

145.27 g/mol

Controlled

Chemical Information

3-(Methylsulfanyl)cyclohexan-1-amine

CAS Number	1315365-18-4
PubChem CID	54594178
IUPAC Name	3-methylsulfanylcyclohexan-1-amine
Molecular Formula	C7H15NS
Molecular Weight	145.27
XLogP	1.3
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

CSC1CCCC(C1)N

InChI

InChI=1S/C7H15NS/c1-9-7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3

InChIKey

KVRGXUWSUFKSJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1315365-18-4

CID: 54594178

Formula: C7H15NS

MW: 145.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.27
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	145.09252066
Monoisotopic Mass	145.09252066
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BCA75567-01	3- (Methylsulfanyl) cyclohexan-1-ol
VXC63948-01	4-[ (Methylsulfanyl) methyl]cyclohexan-1-amine hydrochloride
XAA84245-01	3- (Methylsulfanyl) cyclohexan-1-one
QDC43368-01	3- (Ethylsulfanyl) cyclohexan-1-amine
QDC20472-01	3- (Ethanesulfinyl) cyclohexan-1-amine
LIC71407-01	3- (Difluoromethyl) cyclohexan-1-amine
XDA08759-01	3- (Aminomethyl) cyclohexan-1-amine
DPC10435-01	3- (Difluoromethoxy) cyclohexan-1-amine
SDC95093-01	3- (Methylsulfanyl) cyclopentan-1-amine
BCB13577-01	1- (3-bromophenyl) cyclohexan-1-amine

Catalog	Name
OR76983-01	3- (Methylsulfanyl) cyclohexan-1-one
JH915178	3- (METHYLSULFANYL) PYRIDIN-4-AMINE
OR1042441-01	6- (Methylsulfanyl) pyrimidin-4-amine
OR923872	Methyl[2- (methylsulfanyl) ethyl]amine hydrochloride
OR82807-01	6- (Methylsulfanyl) -7h-purin-2-amine
sc-313135	(3-Imidazol-1-yl-propyl) - (4-methylsulfanyl-benzyl) -amine
284543-01	4-[4- (Methylsulfanyl) phenyl]-1,3-thiazol-2-amine
sc-356195A	Cyano[ (methylsulfanyl) (morpholin-4-yl) methylidene]amine.
OR1076368-01	5-Bromo-2- (methylsulfanyl) pyrimidin-4-amine
sc-356195	Cyano[ (methylsulfanyl) (morpholin-4-yl) methylidene]amine