Basic Information | Post buying leads | Suppliers |
Name |
(5-Chlorothiophen-2-yl)-N-methylmethanaminium |
EINECS | N/A |
CAS No. | 70696-37-6 | Density | N/A |
PSA | 40.27000 | LogP | 2.51180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H8ClNS | Boiling Point | 199 °C at 760 mmHg |
Molecular Weight | 162.6598 | Flash Point | 74.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-Chlorothiophen-2-yl)methyl-methylazanium; |
The (5-Chlorothiophen-2-yl)-N-methylmethanaminium has CAS registry number 70696-37-6. This chemical's molecular formula is C6H8ClNS and molecular weight is 162.6598. What's more, its IUPAC name is (5-Chlorothiophen-2-yl)methyl-methylazanium.
Physical properties about (5-Chlorothiophen-2-yl)-N-methylmethanaminium are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.88; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.24 Å2; (13)Flash Point: 74.2 °C; (14)Enthalpy of Vaporization: 43.52 kJ/mol; (15)Boiling Point: 199 °C at 760 mmHg; (16)Vapour Pressure: 0.349 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1sc(cc1)C[NH2+]C
(2) InChI: InChI=1/C6H8ClNS/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3/p+1
(3) InChIKey: FSFSUSWOXAUPJW-IKLDFBCSAQ