Basic information
- CAS
88768-47-2- Standard SMILES
COc1cc(C)nc(SCC(=O)O)n1- InChIKey
VJWTZMALUAVWFP-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3S
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.04121336
Names & identifiers
- Preferred name
- 2-((4-Methoxy-6-methyl-2-pyrimidinyl)thio)acetic acid
- IUPAC
- 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid
Names & synonyms
88768-47-2RefChem:10605352-((4-Methoxy-6-methyl-2-pyrimidinyl)thio)acetic acid((4-Methoxy-6-methyl-2-pyrimidinyl)thio)acetic acid2-((4-Methoxy-6-methylpyrimidin-2-yl)thio)acetic acid2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetic acid[(4-Methoxy-6-methyl-2-pyrimidinyl)thio]acetic acid2-Pyrimidinethioacetic acid, 6-methoxy-4-methyl-Acetic acid, ((4-methoxy-6-methyl-2-pyrimidinyl)thio)-VJWTZMALUAVWFP-UHFFFAOYSA-NDTXSID401008384AKOS030530925
Show more names
[(4-Methoxy-6-methylpyrimidin-2-yl)sulfanyl]acetato2-((4-Methoxy-6-methylpyrimidin-2-yl)thio)aceticacid[(4-Methoxy-6-methyl-2-pyrimidinyl)sulfanyl]acetic acid #
Database identifiers
- CAS
88768-47-2- PubChem CID
- 598396
- DTXSID
DTXSID401008384
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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