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(2-mercaptophenyl) methanol

CAT: 1299-RG-E140405-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E140405-02Size:25 mg
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CAS Number
4521-31-7
Synonyms
(2-mercaptophenyl) methanol
Molecular Formula
C7H8OS
Molecular Weight
140.2
Product Name Synonym
(2-mercaptophenyl) methanol

Chemical Information

2-Mercaptobenzenemethanol
CAS Number4521-31-7
PubChem CID138278
IUPAC Name(2-sulfanylphenyl)methanol
Molecular FormulaC7H8OS
Molecular Weight140.20
XLogP1.4
Topological Polar Surface Area21.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
C1=CC=C(C(=C1)CO)S
InChI
InChI=1S/C7H8OS/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
InChIKey
FYWFCRHZXORPFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Mercaptobenzenemethanol
CAS: 4521-31-7
CID: 138278
Formula: C7H8OS
MW: 140.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.20
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass140.02958605
Monoisotopic Mass140.02958605
Topological Polar Surface Area21.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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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