4(3H)-Pyrimidinone,2-amino-6-mercapto- supplier

Name
4(1H)-Pyrimidinone, 2-amino-6-mercapto- (9CI)
EINECS 200-001-2
CAS No. 6973-81-5
Article Data3
CAS DataBase
Density 1.78 g/cm³
Solubility
Melting Point
Formula C₄H₅N₃OS
Boiling Point 478.9 °C at 760 mmHg
Molecular Weight 143.169
Flash Point 243.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,2-amino-6-mercapto- (9CI);4-Pyrimidinol, 2-amino-6-mercapto- (6CI);2-Amino-4-mercapto-6-hydroxypyrimidine;2-Amino-6-mercapto-4-pyrimidinol;NSC41324;
PSA 110.57000
LogP 0.22200

4(3H)-Pyrimidinone,2-amino-6-mercapto- Specification

The 4(3H)-Pyrimidinone,2-amino-6-mercapto-, with the CAS registry number 6973-81-5, is also known as 2-Amino-6-mercaptopyrimidin-4(1H)-one. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₄H₅N₃OS and molecular weight is 143.167. What's more, its systematic name is called 2-Amino-6-sulfanylpyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone,2-amino-6-mercapto- are: (1)ACD/LogP: -0.15; (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: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 61.21 Å²; (11)Index of Refraction: 1.809; (12)Molar Refractivity: 34.62 cm³; (13)Molar Volume: 80.3 cm³; (14)Surface Tension: 73.3 dyne/cm; (15)Density: 1.78 g/cm³; (16)Flash Point: 243.4 °C; (17)Enthalpy of Vaporization: 77.15 kJ/mol; (18)Boiling Point: 478.9 °C at 760 mmHg; (19)Vapour Pressure: 8.51E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(/S)\N=C(\N)N1
(2) InChI: InChI=1/C4H5N3OS/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
(3) InChIKey: DANMWFUINURCJB-UHFFFAOYAA

Product Name

4(1H)-Pyrimidinone, 2-amino-6-mercapto- (9CI)

4(3H)-Pyrimidinone,2-amino-6-mercapto- Specification

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