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Name |
2-(2-Cyanoethyl)isothiourea monohydrochloride |
EINECS | N/A |
CAS No. | 6634-40-8 | Density | 1.27g/cm3 |
PSA | 98.96000 | LogP | 2.12878 |
Solubility | N/A | Melting Point |
165-166 °C |
Formula | C4H7N3S.HCl | Boiling Point | 290°C at 760 mmHg |
Molecular Weight | 165.647 | Flash Point | 129.2°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-cyanoethylsulfanylmethanimidamide; |
Article Data | 5 |
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