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79490-86-1 | Thiourea, N-ethyl-N'-(4-phenyl-2-thiazolyl)-
CAS No: 79490-86-1 Catalog No: AG0058KV MDL No:
Product Description
Catalog Number:
AG0058KV
Chemical Name:
Thiourea, N-ethyl-N'-(4-phenyl-2-thiazolyl)-
CAS Number:
79490-86-1
Molecular Formula:
C12H13N3S2
Molecular Weight:
263.3817
IUPAC Name:
1-ethyl-3-(4-phenyl-1,3-thiazol-2-yl)thiourea
InChI:
InChI=1S/C12H13N3S2/c1-2-13-11(16)15-12-14-10(8-17-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChI Key:
QAJUVPNMPTYTGV-UHFFFAOYSA-N
SMILES:
CCNC(=S)Nc1scc(n1)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.377g/mol
Monoisotopic Mass:
263.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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