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277754-13-9 | 5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS No: 277754-13-9 Catalog No: AG019K2M MDL No:MFCD02956545
Product Description
Catalog Number:
AG019K2M
Chemical Name:
5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number:
277754-13-9
Molecular Formula:
C11H7N3O2S
Molecular Weight:
245.2572
MDL Number:
MFCD02956545
IUPAC Name:
5-(1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H7N3O2S/c15-9-6(5-12-11(16)14-9)10-13-7-3-1-2-4-8(7)17-10/h1-5H,(H2,12,14,15,16)
InChI Key:
PRNNWWCWXKDWEX-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c(=O)[nH]1)c1nc2c(s1)cccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.256g/mol
Monoisotopic Mass:
245.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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