-
Name
1-Pentanesulfonamide
- EINECS
- CAS No. 52960-14-2
- Article Data5
- CAS DataBase
- Density 1.114 g/cm3
- Solubility
- Melting Point
- Formula C5H13NO2S
- Boiling Point 256.291 °C at 760 mmHg
- Molecular Weight 151.23
- Flash Point 108.801 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-PENTANESULFONAMIDE
- PSA 68.54000
- LogP 2.24620
1-Pentanesulfonamide Specification
This chemical is called 1-Pentanesulfonamide, and its systematic name is pentane-1-sulfonamide. With the molecular formula of C5H13NO2S, its molecular weight is 151.23. The CAS registry number of this chemical is 52960-14-2.
Other characteristics of the 1-Pentanesulfonamide can be summarised as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 68; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.54 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 37.633 cm3; (15)Molar Volume: 135.779 cm3; (16)Polarizability: 14.919×10-24cm3; (17)Surface Tension: 40.866 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 108.801 °C; (20)Enthalpy of Vaporization: 49.38 kJ/mol; (21)Boiling Point: 256.291 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCCCCS(N)(=O)=O
2.InChI: InChI=1/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8)
3.InChIKey: ICFQGMYPBURXAZ-UHFFFAOYAD
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