Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Pyrrolidinethione,1-methyl- |
EINECS | N/A |
CAS No. | 10441-57-3 | Density | 1.1 g/cm3 |
PSA | 35.33000 | LogP | 0.97730 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Methyl-2-pyrrolidinethione;N-Methyl-2-pyrrolidinethione;N-Methyl-2-thiopyrrolidinone;1-Methylpyrrolidine-2-thione; |
Article Data | 32 |
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