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866011-11-2 | 3-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-1-(4-methylbenzenesulfonyl)urea
CAS No: 866011-11-2 Catalog No: AG00IVEX MDL No:MFCD05670470
Product Description
Catalog Number:
AG00IVEX
Chemical Name:
3-[(2Z)-3-methyl-2,3-dihydro-1,3-thiazol-2-ylidene]-1-(4-methylbenzenesulfonyl)urea
CAS Number:
866011-11-2
Molecular Formula:
C12H13N3O3S2
Molecular Weight:
311.3799
MDL Number:
MFCD05670470
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(3-methyl-1,3-thiazol-2-ylidene)urea
InChI:
InChI=1S/C12H13N3O3S2/c1-9-3-5-10(6-4-9)20(17,18)14-11(16)13-12-15(2)7-8-19-12/h3-8H,1-2H3,(H,14,16)
InChI Key:
BMGYZSQSASXYTH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)/N=c/1\sccn1C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.374g/mol
Monoisotopic Mass:
311.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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