Cyclopentanecarbothioamide supplier

Name
Cyclopentanecarbothioamide
EINECS
CAS No. 42202-73-3
Article Data5
CAS DataBase
Density 1.124 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NS
Boiling Point 218.245 °C at 760 mmHg
Molecular Weight 129.226
Flash Point 85.792 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopentanethiocarboxamide;
PSA 58.11000
LogP 2.16300

Cyclopentanecarbothioamide Specification

The Cyclopentanecarbothioamide, with CAS registry number 42202-73-3, has the systematic name of cyclopentanecarbothioamide. Its molecular weight is 129.2232. And the chemical formula of this chemical is C₆H₁₁NS.

Physical properties of Cyclopentanecarbothioamide: (1)ACD/LogP: 1.57; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 112; (8)ACD/KOC (pH 7.4): 112; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.11 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 38.426 cm³; (15)Molar Volume: 115.005 cm³; (16)Polarizability: 15.233×10^-24cm³; (17)Surface Tension: 56.313 dyne/cm; (18)Density: 1.124 g/cm³; (19)Flash Point: 85.792 °C; (20)Enthalpy of Vaporization: 45.463 kJ/mol; (21)Boiling Point: 218.245 °C at 760 mmHg; (22)Vapour Pressure: 0.127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=S)C1CCCC1
(2)InChI: InChI=1/C6H11NS/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)
(3)InChIKey: WJWCBZIJPAIHLU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H11NS/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)
(5)Std. InChIKey: WJWCBZIJPAIHLU-UHFFFAOYSA-N

Product Name

Cyclopentanecarbothioamide

Cyclopentanecarbothioamide Specification

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