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Methyl 3-Mercaptopropionate

CAT: 0572-TRC-M320265-100GSize: 100 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M320265-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2935-90-2
Synonyms
3-Mercaptopropanoic Acid Methyl Ester; 3-Mercaptopropionic Acid Methyl Ester; 3-Mercaptopropanoic Acid Methyl Ester; 3-Mercaptopropionic Acid Methyl Ester; 3-Mercatopropropanoic Acid Methyl Ester; 3-Thiopropanoic Acid Methyl Ester; MPM; MPM (thiol); Methyl 3-Mercaptopropionoate; Methyl beta-Mercaptopropionate; NSC 137814; beta-Mercaptopropionic Acid Methyl Ester
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
COC(=O)CCS
Molecular Formula
C4H8O2S
Molecular Weight
120.17
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 3-mercaptopropionate

structure in first source

CAS Number2935-90-2
PubChem CID18050
IUPAC Namemethyl 3-sulfanylpropanoate
Molecular FormulaC4H8O2S
Molecular Weight120.17
XLogP0.3
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
COC(=O)CCS
InChI
InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChIKey
LDTLDBDUBGAEDT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-mercaptopropionate
CAS: 2935-90-2
CID: 18050
Formula: C4H8O2S
MW: 120.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.17
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass120.02450067
Monoisotopic Mass120.02450067
Topological Polar Surface Area27.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
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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