1-PROPANESULFONIC ACID, 3-MERCAPTO-, MONOSODIUM SALT

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Keyword(s): Food Contact Chemicals ; Drinking Water Chemicals
Molecule Category Salt-form
UNII S8NUH5URK8
EPA CompTox DTXSID6066232

Structure

InChI Key FRTIVUOKBXDGPD-UHFFFAOYSA-M
Smiles [Na+].[O-]S(=O)(=O)CCCS
InChI
InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7NaO3S2
Molecular Weight 177.97
AlogP -3.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 57.2
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 17636-10-1
NORMAN SUSDAT
FDA SRS S8NUH5URK8
PubChem 23672317
ChemSpider 78666.0
CONTENTS