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113642-47-0 | 1,3,4-Thiadiazole, 2-(ethylthio)-5-phenyl-
CAS No: 113642-47-0 Catalog No: AG00097A MDL No:
Product Description
Catalog Number:
AG00097A
Chemical Name:
1,3,4-Thiadiazole, 2-(ethylthio)-5-phenyl-
CAS Number:
113642-47-0
Molecular Formula:
C10H10N2S2
Molecular Weight:
222.3298
IUPAC Name:
2-ethylsulfanyl-5-phenyl-1,3,4-thiadiazole
InChI:
InChI=1S/C10H10N2S2/c1-2-13-10-12-11-9(14-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key:
GEQTWLPCIBHILH-UHFFFAOYSA-N
SMILES:
CCSc1nnc(s1)c1ccccc1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.324g/mol
Monoisotopic Mass:
222.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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