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1002-19-3

Basic Information
CAS No.: 1002-19-3
Name: 3-[(3-AMINO-3-OXOPROPYL)DITHIO]PROPANAMIDE
Article Data: 17
Molecular Structure:
Molecular Structure of 1002-19-3 (3-[(3-AMINO-3-OXOPROPYL)DITHIO]PROPANAMIDE)
Formula: C6H12N2O2S2
Molecular Weight: 208.305
Synonyms: Propionamide,3,3'-dithiobis- (7CI,8CI);3,3'-Dithiodipropionamide;b,b'-Dipropionamidedisulfide;
EINECS: 604-604-1
Density: 1.325 g/cm3
Melting Point: 178-180 °C(Solv: ethanol (64-17-5))
Boiling Point: 526 °C at 760 mmHg
Flash Point: 271.9 °C
PSA: 136.78000
LogP: 1.51920
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Specification

The Propanamide,3,3'-dithiobis- is an organic compound with the formula C6H12N2O2S2. The IUPAC name of this chemical is 3-[(3-Amino-3-oxopropyl)disulfanyl]propanamide. With the CAS registry number 1002-19-3, it is also named as 3,3'-Dithiodipropionamide. The product's category is Aliphatics. Besides, its molecular weight is 208.3.

Physical properties about Propanamide,3,3'-dithiobis- are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): -0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.49; (7)ACD/KOC (pH 7.4): 12.49; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 91.22 Å2; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 52.97 cm3; (14)Molar Volume: 157.1 cm3; (15)Polarizability: 20.99×10-24 cm3; (16)Surface Tension: 61.7 dyne/cm; (17)Density: 1.325 g/cm3; (18)Flash Point: 271.9 °C; (19)Enthalpy of Vaporization: 80.02 kJ/mol; (20)Boiling Point: 526 °C at 760 mmHg; (21)Vapour Pressure: 3.73E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H12N2O2S2/c7-5(9)1-3-11-12-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
(2)InChIKey: GJXCLGKEGAGUQC-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C6H12N2O2S2/c7-5(9)1-3-11-12-4-2-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
(4)Std. InChIKey: GJXCLGKEGAGUQC-UHFFFAOYSA-N