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1-Thioglycerol

CAT: 0024-sc-213414ASize: 500 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-213414ASize:500 mL
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CAS Number
96-27-5

Chemical Information

Thioglycerol

Monothioglycerol is a thiol that is glycerol in which one of the primary hydroxy groups is replaced by a thiol group. It has a role as a reducing agent and a vulnerary. It is a member of propane-1,2-diols and a thiol.

CAS Number96-27-5
PubChem CID7291
IUPAC Name3-sulfanylpropane-1,2-diol
Molecular FormulaC3H8O2S
Molecular Weight108.16
XLogP-0.8
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity32
SMILES
C(C(CS)O)O
InChI
InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
InChIKey
PJUIMOJAAPLTRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thioglycerol
CAS: 96-27-5
CID: 7291
Formula: C3H8O2S
MW: 108.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight108.16
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass108.02450067
Monoisotopic Mass108.02450067
Topological Polar Surface Area41.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity32
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