Basic information
- CAS
7153-63-1- Standard SMILES
O=C(O)c1c[nH]c(=S)[nH]c1=S- InChIKey
XEJIWNAISNEOSW-UHFFFAOYSA-N- Molecular formula
- C5H4N2O2S2
- Average molar mass
- 188.2 g/mol
- Monoisotopic mass
- 187.97141972
Names & identifiers
- Preferred name
- 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
- IUPAC
- 2,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acid
Names & synonyms
7153-63-12,4-bis(sulfanylidene)-1H-pyrimidine-5-carboxylic acidNSC44558DTXSID60398733NSC-445582,4-Bis(sulfanylidene)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
Database identifiers
- CAS
7153-63-1- PubChem CID
- 4045342
- DTXSID
DTXSID60398733
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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