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108641-82-3
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Basic Information
CAS No.: 108641-82-3
Name: DL-HOMOCYSTINE (3,3,3',3',4,4,4',4'-D8)
Molecular Structure:
Molecular Structure of 108641-82-3 (DL-HOMOCYSTINE (3,3,3',3',4,4,4',4'-D8))
Formula: C8H8D8N2O4S2
Molecular Weight: 276.4
Synonyms: DL-Homocystine-3,3,3',4,4,4',4-D8;4,4'-Disulfanediylbis[2-amino(3,3,4,4-2H4)butanoic acid];
Density: 1.486 g/cm3
Boiling Point: 507.6 °C at 760 mmHg
Flash Point: 260.8 °C
PSA: 177.24000
LogP: 1.37240
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Specification

The Butanoic-3,3,4,4-d4acid,4,4'-dithiobis[2-amino-, with the CAS registry number of 108641-82-3, is also known as DL-Homocystine-3,3,3',4,4,4',4-D8. The molecular formula of this chemical is C8H8D8N2O4S2 and its molecular weight is 276.4. What's more, its systematic name is 4,4'-Disulfanediylbis[2-amino(3,3,4,4-2H4)butanoic acid].

Physical properties about Butanoic-3,3,4,4-d4acid,4,4'-dithiobis[2-amino- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.48; (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): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 109.68 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 65.22 cm3; (15)Molar Volume: 185.8 cm3; (16)Polarizability: 25.85×10-24 cm3; (17)Surface Tension: 75.6 dyne/cm; (18)Density: 1.486 g/cm3; (19)Flash Point: 260.8 °C; (20)Enthalpy of Vaporization: 85.13 kJ/mol; (21)Boiling Point: 507.6 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])(C([2H])([2H])SSC([2H])([2H])C([2H])([2H])C(C(=O)O)N)C(C(=O)O)N
(2) InChI: InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/i1D2,2D2,3D2,4D2
(3) InChIKey: ZTVZLYBCZNMWCF-SVYQBANQEF