Acetic acid, [[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-
Basic information
- CAS
92628-89-2- Standard SMILES
COc1ccc(-c2cc(C)nc(SCC(=O)O)n2)cc1- InChIKey
SBRNKOUSYXRSCA-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3S
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.07251349
Names & identifiers
- Preferred name
- Acetic acid, [[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-
- IUPAC
- 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanylacetic acid
Names & synonyms
92628-89-2Acetic acid, [[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-SBB0574472-[6-(4-methoxyphenyl)-4-methylpyrimidin-2-ylthio]acetic acidDTXSID10352921{[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl}acetic acidAKOS001021879ST50807795SR-01000025123SR-01000025123-1Z56754263
Database identifiers
- CAS
92628-89-2- PubChem CID
- 736087
- DTXSID
DTXSID10352921
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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