3-Methanesulfinylcyclohexan-1-ol

CAT: 0926-NKD12609-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NKD12609-01Size:50 mg

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CAS Number

2138126-09-5

MDL Number

MFCD31440626

Smiles

CS (=O) C1CCCC (C1) O

Molecular Formula

C7H14O2S

Molecular Weight

162.25 g/mol

Controlled

Chemical Information

3-Methanesulfinylcyclohexan-1-ol

CAS Number	2138126-09-5
PubChem CID	132342169
IUPAC Name	3-methylsulfinylcyclohexan-1-ol
Molecular Formula	C7H14O2S
Molecular Weight	162.25
XLogP	-0.1
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

CS(=O)C1CCCC(C1)O

InChI

InChI=1S/C7H14O2S/c1-10(9)7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3

InChIKey

LTNJLPVPZKRFBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2138126-09-5

CID: 132342169

Formula: C7H14O2S

MW: 162.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.25
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	162.07145086
Monoisotopic Mass	162.07145086
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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
RDC74425-01	3-Methanesulfinylcyclohexan-1-amine
SDC04113-01	3-Methanesulfonylcyclohexan-1-ol
IEA92021-01	Rac- (1R,2R) -2-Methanesulfonylcyclohexan-1-ol
EDA80279-01	1,3,3-Trimethylcyclohexan-1-ol
AAA76712-01	3,3-Dimethylcyclohexan-1-ol
IJB35936-01	3,3-Difluorobutan-1-ol
PDC45170-01	1-Cyclopropanecarbonylazetidin-3-ol
OO173738-01	1-Octen-3-ol
FB32430	3-Buten-1-ol
HJB28053-01	1-phenylazetidin-3-ol