1-Pentanethione,4-methyl-1-(1-piperidinyl)- supplier

Name
4-METHYL VALERYL PIPERIDINE THIOAMIDE
EINECS
CAS No. 289677-13-0
Density 0.981 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₁NS
Boiling Point 271.2 °C at 760 mmHg
Molecular Weight 199.36
Flash Point 117.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-1-(piperidin-1-yl)pentane-1-thione;1-(4-Methylpentanethioyl)piperidine;4-Methyl valeryl piperidine thioamide;4-Methylvalerylpiperidinethioamide;
PSA 35.33000
LogP 3.17380

1-Pentanethione,4-methyl-1-(1-piperidinyl)- Specification

The 1-Pentanethione,4-methyl-1-(1-piperidinyl)-, with the CAS registry number 289677-13-0, is also known as 4-Methyl-1-(piperidin-1-yl)pentane-1-thione. This chemical's molecular formula is C₁₁H₂₁NS and molecular weight is 199.36. What's more, its systematic name is 1-(4-Methylpentanethioyl)piperidine.

Physical properties of 1-Pentanethione,4-methyl-1-(1-piperidinyl)- are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 50.71; (6)ACD/BCF (pH 7.4): 50.72; (7)ACD/KOC (pH 5.5): 578.23; (8)ACD/KOC (pH 7.4): 578.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 61.58 cm³; (15)Molar Volume: 203 cm³; (16)Polarizability: 24.41×10^-24 cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 0.981 g/cm³; (19)Flash Point: 117.8 °C; (20)Enthalpy of Vaporization: 50.95 kJ/mol; (21)Boiling Point: 271.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00652 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N1CCCCC1)CCC(C)C
(2)InChI: InChI=1/C11H21NS/c1-10(2)6-7-11(13)12-8-4-3-5-9-12/h10H,3-9H2,1-2H3
(3)InChIKey: IWHGQDNOQCNXJH-UHFFFAOYAY

Product Name

4-METHYL VALERYL PIPERIDINE THIOAMIDE

1-Pentanethione,4-methyl-1-(1-piperidinyl)- Specification

Related Products

Hot Products