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2-Methanesulfonylethanethioamide

CAT: 0926-DCA30047-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-DCA30047-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53300-47-3
MDL Number
MFCD00085139
Smiles
CS (=O) (=O) CC (=S) N
Molecular Formula
C3H7NO2S2
Molecular Weight
153.23 g/mol
Controlled
No

Chemical Information

2-Methanesulfonylethanethioamide
CAS Number53300-47-3
PubChem CID2745398
IUPAC Name2-methylsulfonylethanethioamide
Molecular FormulaC3H7NO2S2
Molecular Weight153.23
XLogP-0.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity176
SMILES
CS(=O)(=O)CC(=S)N
InChI
InChI=1S/C3H7NO2S2/c1-8(5,6)2-3(4)7/h2H2,1H3,(H2,4,7)
InChIKey
SWXPAPNPQXSLMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methanesulfonylethanethioamide
CAS: 53300-47-3
CID: 2745398
Formula: C3H7NO2S2
MW: 153.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.23
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass152.99182081
Monoisotopic Mass152.99182081
Topological Polar Surface Area101 Ų
Heavy Atom Count8
Formal Charge0
Complexity176
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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