Home Other Building Blocks 4,6-dimethyl-2-thioxo-(1H)-pyrimidinediylium sulphate

4,6-dimethyl-2-thioxo-(1H)-pyrimidinediylium sulphate

CAS No.:
68901-13-3
Catalog Number:
AG00FPN5
Molecular Formula:
C6H10N2O4S2
Molecular Weight:
238.2846
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Product Description
Catalog Number:
AG00FPN5
Chemical Name:
4,6-dimethyl-2-thioxo-(1H)-pyrimidinediylium sulphate
CAS Number:
68901-13-3
Molecular Formula:
C6H10N2O4S2
Molecular Weight:
238.2846
MDL Number:
MFCD00035555
IUPAC Name:
4,6-dimethyl-1H-pyrimidine-2-thione;sulfuric acid
InChI:
InChI=1S/C6H8N2S.H2O4S/c1-4-3-5(2)8-6(9)7-4;1-5(2,3)4/h3H,1-2H3,(H,7,8,9);(H2,1,2,3,4)
InChI Key:
OBBXHNGBDZXHMH-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Cc1cc(C)nc(n1)S
EC Number:
272-656-8
NSC Number:
163166
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
238.276g/mol
Monoisotopic Mass:
238.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties