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37525-44-3 | 1,3,4-Thiadiazole-2(3H)-thione,5-(2-benzothiazolylthio)-3-phenyl-
CAS No: 37525-44-3 Catalog No: AG0079KD MDL No:
Product Description
Catalog Number:
AG0079KD
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione,5-(2-benzothiazolylthio)-3-phenyl-
CAS Number:
37525-44-3
Molecular Formula:
C15H9N3S4
Molecular Weight:
359.5121
IUPAC Name:
5-(1,3-benzothiazol-2-ylsulfanyl)-3-phenyl-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C15H9N3S4/c19-15-18(10-6-2-1-3-7-10)17-14(22-15)21-13-16-11-8-4-5-9-12(11)20-13/h1-9H
InChI Key:
GLDUYWAMKOSGDL-UHFFFAOYSA-N
SMILES:
S=c1sc(nn1c1ccccc1)Sc1nc2c(s1)cccc2
EC Number:
253-542-7
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.968g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.498g/mol
Monoisotopic Mass:
358.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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