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866011-10-1 | 3-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-1-phenylurea
CAS No: 866011-10-1 Catalog No: AG00IVEW MDL No:MFCD05670469
Product Description
Catalog Number:
AG00IVEW
Chemical Name:
3-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-1-phenylurea
CAS Number:
866011-10-1
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
MDL Number:
MFCD05670469
IUPAC Name:
1-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylurea
InChI:
InChI=1S/C11H11N3OS/c1-14-7-8-16-11(14)13-10(15)12-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,15)
InChI Key:
KWALDNQIQIFHQI-UHFFFAOYSA-N
SMILES:
O=C(/N=c/1\sccn1C)Nc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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