Propanamide,3,3'-thiobis- supplier

Name
3-[(3-AMINO-3-OXOPROPYL)THIO]PROPANAMIDE
EINECS
CAS No. 5459-10-9
Article Data8
CAS DataBase
Density 1.231 g/cm³
Solubility
Melting Point
Formula C₆H₁₂N₂O₂S
Boiling Point 512.7 °C at 760 mmHg
Molecular Weight 176.239
Flash Point 263.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3'-Thiodipropionamide;
PSA 111.48000
LogP 0.87100

Propanamide,3,3'-thiobis- Specification

The Propanamide, 3, 3'-thiobis-, with the CAS registry number 5459-10-9, is also known as 3, 3'-Thiodipropionamide. This chemical's molecular formula is C₆H₁₂N₂O₂S and molecular weight is 176.24. What's more, its IUPAC name is 3-(3-Amino-3-oxopropyl)sulfanylpropanamide.

Physical properties about Propanamide, 3, 3'-thiobis- are: (1)ACD/LogP: -1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.63; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 3.1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.92 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 44.97 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 17.82×10^-24 cm³; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 263.9 °C; (20)Enthalpy of Vaporization: 78.39 kJ/mol; (21)Boiling Point: 512.7 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)CCSCCC(=O)N
(2) InChI: InChI=1/C6H12N2O2S/c7-5(9)1-3-11-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
(3) InChIKey: GNAYFTGREAJJLY-UHFFFAOYAW

Product Name

3-[(3-AMINO-3-OXOPROPYL)THIO]PROPANAMIDE

Propanamide,3,3'-thiobis- Specification

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