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N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide

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Name

N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide

EINECS N/A
CAS No. 63967-10-2 Density 1.42 g/cm3
PSA 111.50000 LogP 2.27630
Solubility N/A Melting Point N/A
Formula C14H11N5OS Boiling Point N/A
Molecular Weight 297.33504 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 63967-10-2 (N-(3-(5-MERCAPTO-1H-TETRAZOL-1-YL)PHENYL)BENZAMIDE) Hazard Symbols N/A
Synonyms

N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide;

 

N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide Specification

The N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)benzamide with the cas number 63967-10-2 is also called Benzamide,N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-. Its molecular formula is C14H11N5OS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.71; (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): 1.25; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 111.5 Å2; (11)Index of Refraction: 1.738; (12)Molar Refractivity: 83.76 cm3; (13)Molar Volume: 208 cm3; (14)Polarizability: 33.2×10-24cm3; (15)Surface Tension: 59.5 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1)n2nnnc2S)c3ccccc3
(2)InChI: InChI=1/C14H11N5OS/c20-13(10-5-2-1-3-6-10)15-11-7-4-8-12(9-11)19-14(21)16-17-18-19/h1-9H,(H,15,20)(H,16,18,21)
(3)InChIKey: KJOCCCCUKDDDDA-UHFFFAOYAK

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