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159898-75-6 | 1,3,4-Thiadiazole, 2,2'-[1,2-ethanediylbis(thio)]bis[5-methyl-
CAS No: 159898-75-6 Catalog No: AG001RI1 MDL No:
Product Description
Catalog Number:
AG001RI1
Chemical Name:
1,3,4-Thiadiazole, 2,2'-[1,2-ethanediylbis(thio)]bis[5-methyl-
CAS Number:
159898-75-6
Molecular Formula:
C8H10N4S4
Molecular Weight:
290.4518
IUPAC Name:
2-methyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethylsulfanyl]-1,3,4-thiadiazole
InChI:
InChI=1S/C8H10N4S4/c1-5-9-11-7(15-5)13-3-4-14-8-12-10-6(2)16-8/h3-4H2,1-2H3
InChI Key:
MZUQBBBNFRCIDV-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)SCCSc1nnc(s1)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.436g/mol
Monoisotopic Mass:
289.979g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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