5-Methylthieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
75860-79-6- Standard SMILES
Cc1csc2[nH]c(=O)[nH]c(=O)c12- InChIKey
GKMPAIVLIOXQSS-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2S
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 182.01499861
Names & identifiers
- Preferred name
- 5-Methylthieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
- English name
- 5-METHYLTHIENO[2,3-D]PYRIMIDINE-2,4-DIOL
- Molecular formula
- C7H6N2O2S
- Molecular weight
- 182.2
Names & synonyms
75860-79-65-methylthieno[2,3-d]pyrimidine-2,4(1h,3h)-dione2,4-Dihydroxy-5-methylthieno[2,3-d]pyrimidineMFCD100008435-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione5-METHYLTHIENO[2,3-D]PYRIMIDINE-2,4-DIOLNSC153319SCHEMBL13780244DTXSID903027475-methyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dioneNSC210725AKOS006304037
Show more names
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-methyl-
AB56034NSC-153319NSC-210725SY032631DB-3591075-Methyl-thieno[2,3-d]pyrimidine-2,4(1h,3h)-dione
Database identifiers
- CAS
75860-79-6- PubChem CID
- 290229
- DTXSID
DTXSID90302747
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- pka
- 10.96 · 10.96±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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