4-Pyrimidinethiol supplier | CasNO.133039-82-4

Name
4-Pyrimidinethiol (9CI)
EINECS
CAS No. 133039-82-4
Article Data6
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₄H₄N₂S
Boiling Point 191.3 °C at 760 mmHg
Molecular Weight 112.15296
Flash Point 69.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine-4-thiol;
PSA 64.58000
LogP 0.76530

4-Pyrimidinethiol Specification

The 4-Pyrimidinethiol, with the CAS registry number 133039-82-4, is also known as Pyrimidine-4-thiol. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₄H₄N₂S and molecular weight is 112.15296. What's more, its systematic name is Pyrimidine-4(3H)-thione.

Physical properties about 4-Pyrimidinethiol are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.33; (8)ACD/KOC (pH 7.4): 5.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.69 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 31.85 cm³; (15)Molar Volume: 86 cm³; (16)Polarizability: 12.63×10^-24 cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 69.5 °C; (20)Enthalpy of Vaporization: 42.75 kJ/mol; (21)Boiling Point: 191.3 °C at 760 mmHg; (22)Vapour Pressure: 0.519 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C1/C=C\N=C/N1
(2) InChI: InChI=1/C4H4N2S/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
(3) InChIKey: MGAXHFMCFLLMNG-UHFFFAOYAS

Product Name

4-Pyrimidinethiol (9CI)

4-Pyrimidinethiol Specification

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