2-(2-Cyanoethyl)isothiourea monohydrochloride (6634-40-8)

The 2-(2-Cyanoethyl)isothiourea monohydrochloride is an organic compound with the formula C₄H₇N₃S^.HCl. With the CAS registry number 6634-40-8, the IUPAC name of this chemical is 2-cyanoethyl carbamimidothioate chloride.

Physical properties about 2-(2-Cyanoethyl)isothiourea monohydrochloride are: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 100.7 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[NH2+]=C(N)SCCC#N
(2)InChI: InChI=1/C4H7N3S.ClH/c5-2-1-3-8-4(6)7;/h1,3H2,(H3,6,7);1H
(3)InChIKey: AFNOMYJVKMTGPV-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H7N3S.ClH/c5-2-1-3-8-4(6)7;/h1,3H2,(H3,6,7);1H
(5)Std. InChIKey: AFNOMYJVKMTGPV-UHFFFAOYSA-N