Home Other Building Blocks 1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

CAS No.:
65959-99-1
Catalog Number:
AG01C748
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
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Product Description
Catalog Number:
AG01C748
Chemical Name:
1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS Number:
65959-99-1
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD24601466
IUPAC Name:
1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C8H12N2O2S/c1-2-3-4-10-7(12)5-6(11)9-8(10)13/h2-5H2,1H3,(H,9,11,13)
InChI Key:
UGJVEVXBXNTWJU-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)CC(=O)NC1=S
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties