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89335-14-8 | Thiourea, [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 89335-14-8 Catalog No: AG003YDQ MDL No:
Product Description
Catalog Number:
AG003YDQ
Chemical Name:
Thiourea, [5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
89335-14-8
Molecular Formula:
C9H7ClN4OS
Molecular Weight:
254.6961
IUPAC Name:
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiourea
InChI:
InChI=1S/C9H7ClN4OS/c10-6-4-2-1-3-5(6)7-13-14-9(15-7)12-8(11)16/h1-4H,(H3,11,12,14,16)
InChI Key:
VOXTWRLCYXQNMI-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nnc(o1)c1ccccc1Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.692g/mol
Monoisotopic Mass:
254.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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