5H-Tetrazol-5-one,1,2-dihydro-1-(2-thienyl)- supplier

Name
1-THIEN-2-YL-1,4-DIHYDRO-5H-TETRAZOL-5-ONE
EINECS
CAS No. 141946-05-6
Article Data2
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point
Formula C₅H₄N₄OS
Boiling Point 242.6 °C at 760 mmHg
Molecular Weight 168.179
Flash Point 100.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-thien-2-yl-1,4-dihydro-5H-tetrazol-5-one; 1-thiophen-2-yl-1,2-dihydro-5H-tetrazol-5-one
PSA 92.07000
LogP 0.42940

5H-Tetrazol-5-one,1,2-dihydro-1-(2-thienyl)- Specification

The CAS registry number of 5H-Tetrazol-5-one,1,2-dihydro-1-(2-thienyl)- is 141946-05-6. The IUPAC name is 1-thiophen-2-yl-1,2-dihydro-5H-tetrazol-5-one. In addition, the formula is C₅H₄N₄OS and the molecular weight is 168.1765. It should be stored in a cool environment.

Physical properties about this chemical are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.04; (8)ACD/KOC (pH 7.4): 17.04; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 76.51 Å²; (13)Index of Refraction: 1.875; (14)Molar Refractivity: 42.26 cm³; (15)Molar Volume: 92.6 cm³; (16)Polarizability: 16.75 ×10^-24cm³; (17)Surface Tension: 91.3 dyne/cm; (18)Density: 1.81 g/cm³; (19)Flash Point: 100.5 °C; (20)Enthalpy of Vaporization: 47.96 kJ/mol; (21)Boiling Point: 242.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0337 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=N\NN2c1sccc1
(2)InChI: InChI=1/C5H4N4OS/c10-5-6-7-8-9(5)4-2-1-3-11-4/h1-3H,(H,6,8,10)
(3)InChIKey: MECGPFLJSDVABY-UHFFFAOYAA

Product Name

1-THIEN-2-YL-1,4-DIHYDRO-5H-TETRAZOL-5-ONE

5H-Tetrazol-5-one,1,2-dihydro-1-(2-thienyl)- Specification

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