Cas no 16849-77-7 (Propionic acid, 2-mercapto-, isopropyl ester)

Propionic acid, 2-mercapto-, isopropyl ester structure
16849-77-7 structure
Product Name:Propionic acid, 2-mercapto-, isopropyl ester
CAS No:16849-77-7
MF:C6H12O2S
MW:148.223280906677
CID:2658636
Update Time:2023-08-06

Propionic acid, 2-mercapto-, isopropyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Mercaptopropionic acid 1-methylethyl ester
    • propan-2-yl 2-sulfanylpropanoate
    • Propionic acid, 2-mercapto-, isopropyl ester
    • NUIVLBRODXOUAB-UHFFFAOYSA-N
    • Propanoic acid, 2-mercapto-, 1-methylethyl ester
    • Isopropyl 2-sulfanylpropanoate #
    • Isopropyl-alpha-mercapto-propionate
    • Isopropyl .alpha.-mercaptopropionate
    • Inchi: 1S/C6H12O2S/c1-4(2)8-6(7)5(3)9/h4-5,9H,1-3H3
    • InChI Key: NUIVLBRODXOUAB-UHFFFAOYSA-N
    • SMILES: SC(C)C(=O)OC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 101
  • XLogP3: 1.6
  • Topological Polar Surface Area: 27.3
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