2-Sulfanylbenzamide supplier

Name
2-Sulfanylbenzamide
EINECS
CAS No. 5697-20-1
Article Data4
CAS DataBase
Density 1.268 g/cm³
Solubility
Melting Point 145-146 °C
Formula C₇H₇NOS
Boiling Point 306.1 °C at 760 mmHg
Molecular Weight 153.205
Flash Point 138.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-sulfanylbenzamide;BenzaMide, 2-Mercapto-
PSA 81.89000
LogP 1.77450

2-Sulfanylbenzamide 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

Product Name

2-Sulfanylbenzamide

2-Sulfanylbenzamide Specification

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