Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Amino-2-mercaptopyrimidine-5-carbonitrile |
EINECS | N/A |
CAS No. | 16462-26-3 | Density | 1.58 g/cm3 |
PSA | 114.39000 | LogP | 0.80038 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4N4S | Boiling Point | 330 °C at 760 mmHg |
Molecular Weight | 152.18 | Flash Point | 153.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Pyrimidinecarbonitrile,4-amino-1,2-dihydro-2-thioxo- (9CI);5-Pyrimidinecarbonitrile,4-amino-2-mercapto- (6CI,7CI,8CI);4-Amino-2-mercaptopyrimidine-5-carbonitrile;4-Amino-2-sulfanyl-5-pyrimidinecarbonitrile; |
Article Data | 6 |
The CAS register number of 4-Amino-2-mercaptopyrimidine-5-carbonitrile is 16462-26-3. It also can be called as 5-Pyrimidinecarbonitrile,6-amino-1,2-dihydro-2-thioxo- and the IUPAC name about this chemical is 6-amino-2-sulfanylidene-1H-pyrimidine-5-carbonitrile. The molecular formula about this chemical is C5H4N4S and molecular weight is 152.18.
Physical properties about 4-Amino-2-mercaptopyrimidine-5-carbonitrile are: (1)ACD/LogP: -2.84; (2)ACD/LogD (pH 5.5): -4.47; (3)ACD/LogD (pH 7.4): -5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.72Å2; (12)Index of Refraction: 1.78; (13)Molar Refractivity: 40.29 cm3; (14)Molar Volume: 96 cm3; (15)Polarizability: 15.97x10-24cm3; (16)Surface Tension: 67.5 dyne/cm; (17)Enthalpy of Vaporization: 57.25 kJ/mol; (18)Boiling Point: 330 °C at 760 mmHg; (19)Vapour Pressure: 0.000172 mmHg at 25°C.
Preparation: this chemical can be prepared by Bis(4-amino-5-cyano-pyrimidin-2-yl)disulfid. This reaction will need reagent aq. Na2S at 90 - 100 ℃. The yield is about 69%.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C1/N=C\C(\C#N)=C(\N)N1
(2)InChI: InChI=1/C5H4N4S/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
(3)InChIKey: WCGUHTXQXJRNRJ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H4N4S/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
(5)Std. InChIKey: WCGUHTXQXJRNRJ-UHFFFAOYSA-N