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(1-Sulfanylcyclohexyl) methanol

CAT: 0926-MIA57488-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MIA57488-01Size:25 mg
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CAS Number
212574-88-4
MDL Number
MFCD25960956
Smiles
C1CCC (CC1) (CO) S
Molecular Formula
C7H14OS
Molecular Weight
146.25 g/mol
Controlled
No

Chemical Information

(1-Sulfanylcyclohexyl)methanol
CAS Number212574-88-4
PubChem CID91621058
IUPAC Name(1-sulfanylcyclohexyl)methanol
Molecular FormulaC7H14OS
Molecular Weight146.25
XLogP1.5
Topological Polar Surface Area21.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity86
SMILES
C1CCC(CC1)(CO)S
InChI
InChI=1S/C7H14OS/c8-6-7(9)4-2-1-3-5-7/h8-9H,1-6H2
InChIKey
IVIKKGRVMUVRMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Sulfanylcyclohexyl)methanol
CAS: 212574-88-4
CID: 91621058
Formula: C7H14OS
MW: 146.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.25
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.07653624
Monoisotopic Mass146.07653624
Topological Polar Surface Area21.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity86.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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