Home Sulfos 1-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

1-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride

CAS No.:
1341538-76-8
Catalog Number:
AG01A1HE
Molecular Formula:
C10H15ClN2O4S
Molecular Weight:
294.7551
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Product Description
Catalog Number:
AG01A1HE
Chemical Name:
1-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonyl chloride
CAS Number:
1341538-76-8
Molecular Formula:
C10H15ClN2O4S
Molecular Weight:
294.7551
MDL Number:
MFCD20295990
IUPAC Name:
1-hexyl-2,4-dioxopyrimidine-5-sulfonyl chloride
InChI:
InChI=1S/C10H15ClN2O4S/c1-2-3-4-5-6-13-7-8(18(11,16)17)9(14)12-10(13)15/h7H,2-6H2,1H3,(H,12,14,15)
InChI Key:
ZPDOEYYJRGEGRI-UHFFFAOYSA-N
SMILES:
CCCCCCn1cc(c(=O)[nH]c1=O)S(=O)(=O)Cl
Properties
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.044g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.75g/mol
Monoisotopic Mass:
294.044g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties