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89665-77-0 | 5-(M-CHLORO(PHENYLAMINO))METHYL-2-THIOURACIL
CAS No: 89665-77-0 Catalog No: AG0043WF MDL No:
Product Description
Catalog Number:
AG0043WF
Chemical Name:
5-(M-CHLORO(PHENYLAMINO))METHYL-2-THIOURACIL
CAS Number:
89665-77-0
Molecular Formula:
C11H10ClN3OS
Molecular Weight:
267.7346
IUPAC Name:
5-[(3-chloroanilino)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C11H10ClN3OS/c12-8-2-1-3-9(4-8)13-5-7-6-14-11(17)15-10(7)16/h1-4,6,13H,5H2,(H2,14,15,16,17)
InChI Key:
POZYFYKORAUHPW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NCc1c[nH]c(=S)[nH]c1=O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.731g/mol
Monoisotopic Mass:
267.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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