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20029-35-0 | 1,2,4-Triazine-3,5(2H,4H)-dione, dihydro-6-thioxo-, sodium salt (1:1)
CAS No: 20029-35-0 Catalog No: AG002CNS MDL No:MFCD01328709
Product Description
Catalog Number:
AG002CNS
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, dihydro-6-thioxo-, sodium salt (1:1)
CAS Number:
20029-35-0
Molecular Formula:
C3H3N3NaO2S
Molecular Weight:
168.1296
MDL Number:
MFCD01328709
IUPAC Name:
sodium;3,5-dioxo-2H-1,2,4-triazine-6-thiolate
InChI:
InChI=1S/C3H3N3O2S.Na/c7-1-2(9)5-6-3(8)4-1;/h(H,5,9)(H2,4,6,7,8);/q;+1/p-1
InChI Key:
JPRSVSYWNNTVKO-UHFFFAOYSA-M
SMILES:
O=c1[nH][nH]c(=S)c(=O)[nH]1.[Na]
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.977g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.118g/mol
Monoisotopic Mass:
166.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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