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3-Mercapto-1-propanol

CAT: 0572-TRC-M218740-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M218740-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19721-22-3
Synonyms
3-Mercaptopropanol;
Hazard Statement
No Data Available
Smiles
OCCCS
Molecular Formula
C3H8OS
Molecular Weight
92.16
Shipping Conditions
Room Temperature

Chemical Information

3-Mercaptopropanol

structure in first source

CAS Number19721-22-3
PubChem CID88211
IUPAC Name3-sulfanylpropan-1-ol
Molecular FormulaC3H8OS
Molecular Weight92.16
XLogP0.2
Topological Polar Surface Area21.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity16
SMILES
C(CO)CS
InChI
InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
InChIKey
SHLSSLVZXJBVHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Mercaptopropanol
CAS: 19721-22-3
CID: 88211
Formula: C3H8OS
MW: 92.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight92.16
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass92.02958605
Monoisotopic Mass92.02958605
Topological Polar Surface Area21.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity16.4
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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