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89347-09-1 | 1,3,4-Thiadiazole,2,5-bis(tert-nonyldithio)-
CAS No: 89347-09-1 Catalog No: AG003Z8J MDL No:
Product Description
Catalog Number:
AG003Z8J
Chemical Name:
1,3,4-Thiadiazole,2,5-bis(tert-nonyldithio)-
CAS Number:
89347-09-1
Molecular Formula:
C20H38N2S5
Molecular Weight:
466.8541
IUPAC Name:
2,5-bis(2-methyloctan-2-yldisulfanyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C20H38N2S5/c1-7-9-11-13-15-19(3,4)26-24-17-21-22-18(23-17)25-27-20(5,6)16-14-12-10-8-2/h7-16H2,1-6H3
InChI Key:
BXRRILFCEKZKPU-UHFFFAOYSA-N
SMILES:
CCCCCCC(SSc1nnc(s1)SSC(CCCCCC)(C)C)(C)C
EC Number:
289-493-3
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.164g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.838g/mol
Monoisotopic Mass:
466.164g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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