Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Pyrimidinethiol

Related Products

Hot Products

Name

4-Pyrimidinethiol

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

Pyrimidine-4-thiol;

Article Data 6

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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 133039-82-4