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18212-29-8 | 1,2,3-Thiadiazole, 5-phenyl-
CAS No: 18212-29-8 Catalog No: AG0023EQ MDL No:MFCD00014090
Product Description
Catalog Number:
AG0023EQ
Chemical Name:
1,2,3-Thiadiazole, 5-phenyl-
CAS Number:
18212-29-8
Molecular Formula:
C8H6N2S
Molecular Weight:
162.2116
MDL Number:
MFCD00014090
IUPAC Name:
5-phenylthiadiazole
InChI:
InChI=1S/C8H6N2S/c1-2-4-7(5-3-1)8-6-9-10-11-8/h1-6H
InChI Key:
MXTVVTVVBOYKCU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1cnns1
EC Number:
242-097-4
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.21g/mol
Monoisotopic Mass:
162.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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