1,2-Dithiolan-4-amine,N,N-dimethyl- supplier

Name
Nereistoxin
EINECS
CAS No. 1631-58-9
Article Data3
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₅H₁₁NS₂
Boiling Point 209.3 °C at 760 mmHg
Molecular Weight 149.281
Flash Point 80.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nereistoxin;Nereistoxine;
PSA 53.84000
LogP 1.31160

1,2-Dithiolan-4-amine,N,N-dimethyl- Specification

This chemical is called 1,2-Dithiolan-4-amine,N,N-dimethyl-, and its systematic name is N,N-dimethyl-1,2-dithiolan-4-amine. With the molecular formula of C₅H₁₁NS₂, its molecular weight is 149.2775. The CAS registry number of this chemical is 1631-58-9.

Other characteristics of the 1,2-Dithiolan-4-amine,N,N-dimethyl- can be summarised as followings: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 33.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.84 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 43.03 cm³; (15)Molar Volume: 127.9 cm³; (16)Polarizability: 17.06×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 80.4 °C; (20)Enthalpy of Vaporization: 44.56 kJ/mol; (21)Boiling Point: 209.3 °C at 760 mmHg; (22)Vapour Pressure: 0.204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S1SCC(N(C)C)C1
2.InChI: InChI=1/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3
3.InChIKey: DSOOGBGKEWZRIH-UHFFFAOYAA

Product Name

Nereistoxin

1,2-Dithiolan-4-amine,N,N-dimethyl- Specification

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