S-Carboxyethylisothiuronium chloride

Catalog Number	ACM5425785
CAS	5425-78-5
Structure
Synonyms	([Amino(imino)methyl]thio)acetic acid hydrochloride
IUPAC Name	2-Carbamimidoylsulfanylacetic acid;hydrochloride
Molecular Weight	170.62
Molecular Formula	C3H7ClN2O2S
Canonical SMILES	C(C(=O)O)SC(=N)N.Cl
InChI	InChI=1S/C3H6N2O2S.ClH/c4-3(5)8-1-2(6)7;/h1H2,(H3,4,5)(H,6,7);1H
InChI Key	DZLYRGFLNXMMIT-UHFFFAOYSA-N
Purity	98%
Appearance	Powder
Storage	Store in a dry, ventilated area
Exact Mass	169.9916763
Hydrogen-Bond Acceptor Count	4
Hydrogen-Bond Donor Count	4
Monoisotopic Mass	169.9916763
Rotatable-Bond Count	3
Topological Polar Surface Area	113 Ų

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