2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid
Basic information
- CAS
6301-34-4- Standard SMILES
Nc1nc(=S)cc(C(=O)O)[nH]1- InChIKey
QBRHDZAJWBXRAM-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2S
- Average molar mass
- 171.18 g/mol
- Monoisotopic mass
- 171.01024758
Names & identifiers
- Preferred name
- 2-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acid
- IUPAC
- 2-amino-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Names & synonyms
6301-34-42-Amino-6-thioxo-1,6-dihydropyrimidine-4-carboxylic acidNSC44199DTXSID603979432-Amino-6-sulfanylidene-3,6-dihydropyrimidine-4-carboxylic acidNSC-44199
Database identifiers
- CAS
6301-34-4- PubChem CID
- 3916969
- DTXSID
DTXSID60397943
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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