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37434-06-3

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Basic Information
CAS No.: 37434-06-3
Name: DTBPA
Article Data: 2
Molecular Structure:
Molecular Structure of 37434-06-3 (DTBPA)
Formula: C12H8N6S2
Molecular Weight: 300.368
Synonyms: 4,4'-Diazidodiphenyldisulfide;
PSA: 150.10000
LogP: 5.27512
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Specification

The Disulfide,bis(4-azidophenyl) is an organic compound with the formula C12H8N6S2. The IUPAC name of this chemical is 1-azido-4-[(4-azidophenyl)disulfanyl]benzene. With the CAS registry number 37434-06-3, it is also named as 1,1'-Disulfanediylbis(4-azidobenzene).

Physical properties about Disulfide,bis(4-azidophenyl) are: (1)ACD/LogP: 4.95; (2)ACD/LogD (pH 5.5): 4.95; (3)ACD/LogD (pH 7.4): 4.95; (4)ACD/BCF (pH 5.5): 3415.88; (5)ACD/BCF (pH 7.4): 3415.88; (6)ACD/KOC (pH 5.5): 11772.68; (7)ACD/KOC (pH 7.4): 11772.68; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 75.32 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [N-]=[N+]=N\c2ccc(SSc1ccc(\N=[N+]=[N-])cc1)cc2
(2)InChI: InChI=1/C12H8N6S2/c13-17-15-9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)16-18-14/h1-8H
(3)InChIKey: DWBCXGZVCAKDGO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H8N6S2/c13-17-15-9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)16-18-14/h1-8H
(5)Std. InChIKey: DWBCXGZVCAKDGO-UHFFFAOYSA-N