2-Pyrrolidinethione,1-methyl- supplier

Name
1-METHYLPYRROLIDINE-2-THIONE
EINECS
CAS No. 10441-57-3
Article Data32
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point 16 °C
Formula C₅H₉NS
Boiling Point 151.6 °C at 760 mmHg
Molecular Weight 115.199
Flash Point 45.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-2-pyrrolidinethione;N-Methyl-2-pyrrolidinethione;N-Methyl-2-thiopyrrolidinone;1-Methylpyrrolidine-2-thione;
PSA 35.33000
LogP 0.97730

2-Pyrrolidinethione,1-methyl- Specification

This chemical is called 2-Pyrrolidinethione,1-methyl-, and it can also be named as 1-Methyl-2-pyrrolidinethione. With the molecular formula of C₅H₉NS, its molecular weight is 115.19666. The CAS registry number of this chemical is 10441-57-3. Additionally, this chemical should be sealed in the cool and dry place.

Other characteristics of the 2-Pyrrolidinethione,1-methyl- can be summarised as follows: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.42; (8)ACD/KOC (pH 7.4): 10.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 34.14 cm³; (15)Molar Volume: 104.2 cm³; (16)Polarizability:13.53×10^-24 cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 45.5 °C; (20)Enthalpy of Vaporization: 38.85 kJ/mol; (21)Boiling Point: 151.6 °C at 760 mmHg; (22)Vapour Pressure: 3.63 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C1N(C)CCC1
2.InChI: InChI=1/C5H9NS/c1-6-4-2-3-5(6)7/h2-4H2,1H3
3.InChIKey: OQILOJRSIWGQSM-UHFFFAOYAC

Product Name

1-METHYLPYRROLIDINE-2-THIONE

2-Pyrrolidinethione,1-methyl- Specification

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