(4-Hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
Basic information
- CAS
54968-60-4- Standard SMILES
Cc1sc2nc(SCC(=O)O)[nH]c(=O)c2c1C- InChIKey
LVWACCRXYJGLMY-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3S2
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.01328453
Names & identifiers
- Preferred name
- (4-Hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid
- IUPAC
- 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid
- English name
- (4-HYDROXY-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
- Molecular formula
- C10H10N2O3S2
- Molecular weight
- 270.33
Names & synonyms
54968-60-4(4-Hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid2-((4-Hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)thio)acetic acid2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid(5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid[(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid2-(4-hydroxy-5,6-dimethylthiopheno[2,3-d]pyrimidin-2-ylthio)acetic acidAcetic acid,2-[(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-MLS000856534CHEMBL1428846DTXSID40352570
Show more names
TIMTEC-BB SBB0074012-((5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acidAcetic acid, 2-[(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-
HMS2699O13SBB007401STK524294AKOS000269273AKOS000300070SMR000274891ST039221EU-0009070
Database identifiers
- CAS
54968-60-4- PubChem CID
- 729499
- DTXSID
DTXSID40352570- ChEMBL
CHEMBL1428846- Nikkaji
- J1.442.143B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
Solubility>40.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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