Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride |
EINECS | N/A |
CAS No. | 172349-10-9 | Density | N/A |
PSA | 78.05000 | LogP | 2.58078 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6N2S.HCl | Boiling Point | 301 °C at 760 mmHg |
Molecular Weight | 174.65 | Flash Point | 135.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
5-AMINOMETHYL-THIOPHENE-2-CARBONITRILE;5-(AMINOMETHYL)THIOPHENE-2-CARBONITRILE HYDROCHLORIDE;5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride;2-Thiophenecarbonitrile, 5-(aminomethyl)-, hydrochloride (1:1);2-Thiophenecarbonitrile, 5-(aMinoMethyl)-, Monohydrochloride |
Article Data | 8 |
The 5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride, with the CAS registry number 172349-10-9, has the molecular formula C6H6N2S.HCl. In addition, its molecular weight is 174.65. Its systematic name is called 5-(aminomethyl)thiophene-2-carbonitrile hydrochloride (1:1).
Physical properties of 5-(Aminomethyl)-2-thiophenecarbonitrile hydrochloride: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.05 Å2; (11)Flash Point: 135.8 °C; (12)Enthalpy of Vaporization: 55.19 kJ/mol; (13)Boiling Point: 301 °C at 760 mmHg; (14)Vapour Pressure: 0.000811 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N#Cc1ccc(CN)s1
(2)InChI: InChI=1/C6H6N2S.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2H,3,7H2;1H
(3)InChIKey: ORXSASOZUVSWPV-UHFFFAOYAB