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141334-10-3 | 1,3,4-Oxadiazole-2(3H)-thione, 5-[(2-benzoxazolylthio)methyl]-
CAS No: 141334-10-3 Catalog No: AG001G87 MDL No:
Product Description
Catalog Number:
AG001G87
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-[(2-benzoxazolylthio)methyl]-
CAS Number:
141334-10-3
Molecular Formula:
C10H7N3O2S2
Molecular Weight:
265.3115
IUPAC Name:
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C10H7N3O2S2/c16-9-13-12-8(15-9)5-17-10-11-6-3-1-2-4-7(6)14-10/h1-4H,5H2,(H,13,16)
InChI Key:
CBENDHIHGATGCC-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)CSc1nc2c(o1)cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.998g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.305g/mol
Monoisotopic Mass:
264.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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