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1312935-07-1 | 5H-Thiopyrano[4,3-d]pyrimidine, 2,4-dichloro-7,8-dihydro-, 6-oxide
CAS No: 1312935-07-1 Catalog No: AG000VVK MDL No:
Product Description
Catalog Number:
AG000VVK
Chemical Name:
5H-Thiopyrano[4,3-d]pyrimidine, 2,4-dichloro-7,8-dihydro-, 6-oxide
CAS Number:
1312935-07-1
Molecular Formula:
C7H6Cl2N2OS
Molecular Weight:
237.1063
IUPAC Name:
2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6-oxide
InChI:
InChI=1S/C7H6Cl2N2OS/c8-6-4-3-13(12)2-1-5(4)10-7(9)11-6/h1-3H2
InChI Key:
QQNOTZOGGDXJEV-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)CCS(=O)C2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.098g/mol
Monoisotopic Mass:
235.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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