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5697-20-1

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Basic Information
CAS No.: 5697-20-1
Name: 2-Sulfanylbenzamide
Article Data: 4
Molecular Structure:
Molecular Structure of 5697-20-1 (2-Sulfanylbenzamide)
Formula: C7H7NOS
Molecular Weight: 153.205
Synonyms: 2-sulfanylbenzamide;BenzaMide, 2-Mercapto-
Density: 1.268 g/cm3
Melting Point: 145-146 °C
Boiling Point: 306.1 °C at 760 mmHg
Flash Point: 138.9 °C
PSA: 81.89000
LogP: 1.77450
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Specification

The 2-Sulfanylbenzamide has the CAS registry number 5697-20-1. This chemical's molecular formula is C7H7NOS and molecular weight is 153.2. What's more, its systematic name is also 2-sulfanylbenzamide. 

Physical properties of 2-Sulfanylbenzamide are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/BCF (pH 5.5): 4.24; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 92.68; (7)ACD/KOC (pH 7.4): 6.43; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.61 Å2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 43.35 cm3; (14)Molar Volume: 120.7 cm3; (15)Surface Tension: 55.9 dyne/cm; (16)Density: 1.268 g/cm3; (17)Flash Point: 138.9 °C; (18)Enthalpy of Vaporization: 54.66 kJ/mol; (19)Boiling Point: 306.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000789 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1S)N
(2)InChI: InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)
(3)InChIKey: RIDMSOMIFFTEJO-UHFFFAOYSA-N