3-(Amidinothio)-1-propanesulfonic acid

Catalog Number	ACM21668815-1
CAS	21668-81-5
Structure
Synonyms	3-S-Isothiuronium propyl sulfonate
IUPAC Name	3-Carbamimidoylsulfanylpropane-1-sulfonic acid
Molecular Weight	198.3
Molecular Formula	C4H10N2O3S2
Canonical SMILES	C(CSC(=N)N)CS(=O)(=O)O
InChI	InChI=1S/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9)
InChI Key	MQLJIOAPXLAGAP-UHFFFAOYSA-N
Melting Point	240 °C
Purity	95%
Solubility	Soluble in water
Appearance	Powder
Storage	Keep in dark place, inert atmosphere, room temperature
Exact Mass	198.01328453
Hydrogen-Bond Acceptor Count	5
Hydrogen-Bond Donor Count	3
Monoisotopic Mass	198.01328453
Rotatable-Bond Count	5
Topological Polar Surface Area	138 Ų

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SUBMIT