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Propyl Methanethiosulfonate

CAT: 0572-TRC-P838250-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P838250-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24387-69-7
Hazard Statement
Causes skin irritation.
Purity
>95% (GC)
Smiles
CCCSS(=O)(=O)C
Molecular Formula
C4 H10 O2 S2
Molecular Weight
154.25
InChI
InChI=1S/C4H10O2S2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
Additionnal Information
IUPAC name: 1-methylsulfonylsulfanylpropane
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propyl methanethiosulfonate
CAS Number24387-69-7
PubChem CID529387
IUPAC Name1-methylsulfonylsulfanylpropane
Molecular FormulaC4H10O2S2
Molecular Weight154.3
XLogP0.9
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity131
SMILES
CCCSS(=O)(=O)C
InChI
InChI=1S/C4H10O2S2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
InChIKey
NTHJPLSCKRFMSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl methanethiosulfonate
CAS: 24387-69-7
CID: 529387
Formula: C4H10O2S2
MW: 154.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.3
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass154.01222190
Monoisotopic Mass154.01222190
Topological Polar Surface Area67.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity131
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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