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P-mentha-8-thiol-3-one

CAT: 0013-GTR19255148-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255148-01Size:50 mg
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Description
P-mentha-8-thiol-3-one is a thiol ketone widely used in biochemical experiments and drug synthesis research.
CAS Number
38462-22-5
Product Name Alternative
8-Mercapto-p-menthan-3-one
Purity
99.45% (May vary between batches)
Smiles
O=C1CC (C) CCC1C (S) (C) C
Molecular Formula
C10H18OS
Molecular Weight
186.31
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

p-Mentha-8-thiol-3-one

8-Mercapto-p-menthan-3-one is a p-menthane monoterpenoid.

CAS Number38462-22-5
PubChem CID61982
IUPAC Name5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
Molecular FormulaC10H18OS
Molecular Weight186.32
XLogP2.3
Topological Polar Surface Area18.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity186
SMILES
CC1CCC(C(=O)C1)C(C)(C)S
InChI
InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3
InChIKey
RVOKNSFEAOYULQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Mentha-8-thiol-3-one
CAS: 38462-22-5
CID: 61982
Formula: C10H18OS
MW: 186.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.32
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass186.10783637
Monoisotopic Mass186.10783637
Topological Polar Surface Area18.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FM32118P-Mentha-8-thiol-3-one
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TRC-P245955-10MGp-Mentha-8-thiol-3-one(Mixture of cis and trans isomer)
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M02895-01L-p-Mentha-6,8-dien-2-ol
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