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1-Docosanethiol

CAT: 0127-OR1029384-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1029384-02Size:250 mg
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CAS Number
7773-83-3
Synonyms
Docosane-1-thiol
Purity
98%
Smiles
CCCCCCCCCCCCCCCCCCCCCCS

Chemical Information

1-Docosanethiol
CAS Number7773-83-3
PubChem CID263213
IUPAC Namedocosane-1-thiol
Molecular FormulaC22H46S
Molecular Weight342.7
XLogP11.5
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Heavy Atom Count23
Formal Charge0
Complexity190
SMILES
CCCCCCCCCCCCCCCCCCCCCCS
InChI
InChI=1S/C22H46S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
InChIKey
NNZMLOHQRXHPOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Docosanethiol
CAS: 7773-83-3
CID: 263213
Formula: C22H46S
MW: 342.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.7
XLogP311.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Exact Mass342.33202264
Monoisotopic Mass342.33202264
Topological Polar Surface Area1 Ų
Heavy Atom Count23
Formal Charge0
Complexity190
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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