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89335-11-5 | Thiourea, [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 89335-11-5 Catalog No: AG003ZEO MDL No:
Product Description
Catalog Number:
AG003ZEO
Chemical Name:
Thiourea, [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
89335-11-5
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
IUPAC Name:
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thiourea
InChI:
InChI=1S/C10H10N4O2S/c1-15-7-4-2-6(3-5-7)8-13-14-10(16-8)12-9(11)17/h2-5H,1H3,(H3,11,12,14,17)
InChI Key:
KXHAVVUAJIISJN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(o1)NC(=S)N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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