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2-Sulfanylpropan-1-ol

CAT: 0572-TRC-B536548-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B536548-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3001-64-7
Synonyms
2-Mercapto-1-propanol; 2-Mercaptopropanol
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CC(S)CO
Molecular Formula
C3 H8 OS
Molecular Weight
92.16
InChI
InChI=1S/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3
Additionnal Information
IUPAC name: 2-sulfanylpropan-1-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Mercaptopropanol
CAS Number3001-64-7
PubChem CID102921
IUPAC Name2-sulfanylpropan-1-ol
Molecular FormulaC3H8OS
Molecular Weight92.16
XLogP0.3
Topological Polar Surface Area21.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity22
SMILES
CC(CO)S
InChI
InChI=1S/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey
QNNVICQPXUUBSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Mercaptopropanol
CAS: 3001-64-7
CID: 102921
Formula: C3H8OS
MW: 92.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight92.16
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass92.02958605
Monoisotopic Mass92.02958605
Topological Polar Surface Area21.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity22.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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