Basic information
- CAS
353260-59-0- Standard SMILES
CCOC(=O)c1cnc(SC)nc1Sc1ccccc1C(=O)O- InChIKey
FUIHDVCGHRSXQO-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4S2
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 2-{[5-(Ethoxycarbonyl)-2-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}benzoic acid
- IUPAC
- 2-(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)sulfanylbenzoic acid
- English name
- 2-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}benzoic acid
- Molecular formula
- C15H14N2O4S2
- Molecular weight
- 350.41266
Names & synonyms
2-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}benzoic acidAI-204/317170262-(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)sulfanylbenzoic acid
Database identifiers
- CAS
353260-59-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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