Sodium (2-sulfonatoethyl) methanethiosulfonate

Catalog	DGS184644835
CAS	184644-83-5
Structure
Synonyms	2-[(Methylsulfonyl)thio]ethanesulfonic acid sodium salt
IUPAC Name	sodium;2-methylsulfonylsulfanylethanesulfonate
Molecular Weight	242.28
Molecular Formula	C3H7NaO5S3
InChI	InChI=1S/C3H8O5S3.Na/c1-10(4,5)9-2-3-11(6,7)8;/h2-3H2,1H3,(H,6,7,8);/q;+1/p-1
InChI Key	NZSYKLNULKPWIX-UHFFFAOYSA-M
Melting Point	200-203 °C
Appearance	White solid
Complexity	292
Exact Mass	241.93533112
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CS(=O)(=O)SCCS(=O)(=O)[O-].[Na+]
Monoisotopic Mass	241.93533112
Rotatable Bond Count	4
Topological Polar Surface Area	133 Ų