5-Hydrazinyl-2-(methylthio)pyrimidine-4-carboxylic acid
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Basic information
- CAS
99951-96-9- Standard SMILES
CSc1ncc(NN)c(C(=O)O)n1- InChIKey
AWEQMEKQYUYUQQ-UHFFFAOYSA-N- Molecular formula
- C6H8N4O2S
- Average molar mass
- 200.22 g/mol
- Monoisotopic mass
- 200.03679668
Names & identifiers
- Preferred name
- 5-Hydrazinyl-2-(methylthio)pyrimidine-4-carboxylic acid
- IUPAC
- 5-hydrazinyl-2-methylsulfanylpyrimidine-4-carboxylic acid
- English name
- 4-Pyrimidinecarboxylicacid,5-hydrazino-2-(methylthio)-(9CI)
- Molecular formula
- C6H8N4O2S
- Molecular weight
- 200.21832
Names & synonyms
99951-96-95-Hydrazinyl-2-(methylthio)pyrimidine-4-carboxylic acidDTXSID706664955-Hydrazinyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid5-Hydrazinyl-2-(methylthio)pyrimidine-4-carboxylicacid5-hydrazinyl-2-methylsulfanylpyrimidine-4-carboxylic acid4-Pyrimidinecarboxylicacid,5-hydrazino-2-(methylthio)-(9CI)
Database identifiers
- CAS
99951-96-9- PubChem CID
- 45089554
- DTXSID
DTXSID70666495
Properties
Computed structural propertiesFilling in
- XLogP
- -1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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