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54443-89-9 | 1,3-Dibutyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS No: 54443-89-9 Catalog No: AG003DKM MDL No:
Product Description
Catalog Number:
AG003DKM
Chemical Name:
1,3-Dibutyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS Number:
54443-89-9
Molecular Formula:
C12H20N2O2S
Molecular Weight:
256.3644
IUPAC Name:
1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C12H20N2O2S/c1-3-5-7-13-10(15)9-11(16)14(12(13)17)8-6-4-2/h3-9H2,1-2H3
InChI Key:
JNFBSDIDVPDZHB-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)CC(=O)N(C1=S)CCCC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.125g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.364g/mol
Monoisotopic Mass:
256.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Urine test for the assessment of smoking status. | British journal of biomedical science 20010101 |
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