Sodium 3-[[(dimethylamino)thioxomethyl]thio]propanesulphonate

Catalog Number	ACM18880369-1
CAS	18880-36-9
Structure
Synonyms	N,N-Dimethyldithiocarbamylpropylsulfonic acid, sodium salt
IUPAC Name	Sodium;3-(dimethylcarbamothioylsulfanyl)propane-1-sulfonate
Molecular Weight	265.4
Molecular Formula	C6H12NNaO3S3
Canonical SMILES	CN(C)C(=S)SCCCS(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C6H13NO3S3.Na/c1-7(2)6(11)12-4-3-5-13(8,9)10;/h3-5H2,1-2H3,(H,8,9,10);/q;+1/p-1
InChI Key	ALXDAYUOWUEKLS-UHFFFAOYSA-M
Purity	98%+
Solubility	Soluble in water
Appearance	Crystalline powder
Storage	Store in a dry, ventilated area
Exact Mass	264.98770105
Hydrogen-Bond Acceptor Count	5
Hydrogen-Bond Donor Count	0
Monoisotopic Mass	264.98770105
Rotatable-Bond Count	5
Topological Polar Surface Area	126 Ų

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