3- (Ethanesulfinyl) cyclohexan-1-amine

CAT: 0926-QDC20472-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-QDC20472-02Size:0.5 g

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CAS Number

1340204-72-9

MDL Number

MFCD20402484

Smiles

CCS (=O) C1CCCC (C1) N

Molecular Formula

C8H17NOS

Molecular Weight

175.29 g/mol

Controlled

Chemical Information

3-(Ethanesulfinyl)cyclohexan-1-amine

CAS Number	1340204-72-9
PubChem CID	64717350
IUPAC Name	3-ethylsulfinylcyclohexan-1-amine
Molecular Formula	C8H17NOS
Molecular Weight	175.29
XLogP	0
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CCS(=O)C1CCCC(C1)N

InChI

InChI=1S/C8H17NOS/c1-2-11(10)8-5-3-4-7(9)6-8/h7-8H,2-6,9H2,1H3

InChIKey

WZZVAVUXQCERPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1340204-72-9

CID: 64717350

Formula: C8H17NOS

MW: 175.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.29
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	175.10308534
Monoisotopic Mass	175.10308534
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
SDC27335-01	2- (Ethanesulfinyl) cyclohexan-1-amine
QCC36518-01	3- (Methylsulfanyl) cyclohexan-1-amine
QDC43368-01	3- (Ethylsulfanyl) cyclohexan-1-amine
LIC71407-01	3- (Difluoromethyl) cyclohexan-1-amine
XDA08759-01	3- (Aminomethyl) cyclohexan-1-amine
DPC10435-01	3- (Difluoromethoxy) cyclohexan-1-amine
BCB13577-01	1- (3-bromophenyl) cyclohexan-1-amine
FF82990-01	1- (3-Fluorophenyl) Cyclohexan-1-Amine
AFA80207-01	1- (3-Methoxyphenyl) cyclohexan-1-amine
BHA24096-01	2- (Ethanesulfinyl) ethan-1-amine hydrochloride

Catalog	Name
409207-01	1-Bromo-3- (ethanesulfinyl) benzene
sc-333113A	1- (aminomethyl) cyclohexan-1-amine
OR85553-01	1- (Aminomethyl) cyclohexan-1-amine dihydrochloride
OR78643-01	4- (Methylsulfonyl) cyclohexan-1-amine hydrochloride
GTR19277268-01	4- (2-Aminoethyl) cyclohexan-1-amine
OR1053481-01	Trans-4- (Aminomethyl) cyclohexan-1-amine
PC111770-01	4- (Difluoromethylene) cyclohexan-1-amine hydrochloride
OR95694-01	4- (tert-Butyl) cyclohexan-1-amine
sc-345114	1- (morpholin-4-ylcarbonyl) cyclohexan-1-amine hydrochloride
OR1049038	4- (4-tert-Butylphenyl) cyclohexan-1-amine