2(1H)-Pyrimidinethione,4,6-diamino-5-nitroso- supplier

Name
4,6-DIAMINO-2-MERCAPTO-5-NITROSOPYRIMIDINE
EINECS
CAS No. 59150-27-5
Density 2.08 g/cm³
Solubility
Melting Point
Formula C₄H₅N₅OS
Boiling Point 277 °C at 760 mmHg
Molecular Weight 171.183
Flash Point 121.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrimidinethiol,4,6-diamino-5-nitroso- (6CI);4,6-Diamino-5-nitroso-2-pyrimidinethiol;NSC23592;NSC 677502;
PSA 146.05000
LogP 1.49000

2(1H)-Pyrimidinethione,4,6-diamino-5-nitroso- Specification

The 2(1H)-Pyrimidinethione, 4, 6-diamino-5-nitroso-, with the CAS registry number of 59150-27-5, is also known as 4, 6-Diamino-5-nitroso-2-pyrimidinethiol. This chemical's molecular formula is C₄H₅N₅OS and molecular weight is 171.1814. What's more, its IUPAC name is 4, 6-Diamino-5-nitroso-1H-pyrimidine-2-thione.

Physical properties about 2(1H)-Pyrimidinethione, 4, 6-diamino-5-nitroso- are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): -2.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.65; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.6 Å²; (13)Index of Refraction: 1.949; (14)Molar Refractivity: 39.59 cm³; (15)Molar Volume: 82 cm³; (16)Surface Tension: 104.3 dyne/cm; (17)Density: 2.08 g/cm³; (18)Flash Point: 121.3 °C; (19)Enthalpy of Vaporization: 51.55 kJ/mol; (20)Boiling Point: 277 °C at 760 mmHg; (21)Vapour Pressure: 0.00465 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1/N=C(\C(\N=O)=C(\N)N1)N
(2) InChI: InChI=1/C4H5N5OS/c5-2-1(9-10)3(6)8-4(11)7-2/h(H5,5,6,7,8,11)
(3) InChIKey: QGJPVLXLKRTDOI-UHFFFAOYAG

Product Name

4,6-DIAMINO-2-MERCAPTO-5-NITROSOPYRIMIDINE

2(1H)-Pyrimidinethione,4,6-diamino-5-nitroso- Specification

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