3-(Amidinothio)propionic acid

Catalog Number	ACM5398298-1
CAS	5398-29-8
Structure
Synonyms	Beta-isothiureidopropionic acid
IUPAC Name	3-Carbamimidoylsulfanylpropanoic acid
Molecular Weight	148.19
Molecular Formula	C4H8N2O2S
Canonical SMILES	C(CSC(=N)N)C(=O)O
InChI	InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)
InChI Key	ICCLGNPZARKJKF-UHFFFAOYSA-N
Boiling Point	323.4±44.0 °C
Melting Point	183-184 °C
Purity	98%+
Appearance	Powder
Storage	Store in a dry, ventilated area
Exact Mass	148.03064868
Hydrogen-Bond Acceptor Count	4
Hydrogen-Bond Donor Count	3
Monoisotopic Mass	148.03064868
Rotatable-Bond Count	4
Topological Polar Surface Area	113 Ų

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SUBMIT