5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxamide
Basic information
- CAS
691862-37-0- Standard SMILES
Cc1c(C(N)=O)sc2nc[nH]c(=O)c12- InChIKey
SZXREMIPKYVHKQ-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2S
- Average molar mass
- 209.23 g/mol
- Monoisotopic mass
- 209.02589765
Names & identifiers
- Preferred name
- 5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxamide
- IUPAC
- 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
- English name
- 5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
- Molecular formula
- C8H7N3O2S
- Molecular weight
- 209.23
Names & synonyms
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide691862-37-05-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxamideRefChem:537146824-672-75-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamideBAS 087663955-methyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxamideTimTec1_007964CHEMBL2298893SCHEMBL191193954-Hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
Show more names
1,4-Dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamideThieno[2,3-d]pyrimidine-6-carboxamide, 1,4-dihydro-5-methyl-4-oxo-
HMS1556J22HTS14089SBB015984AKOS000538258CCG-339627SDCCGSBI-0661208.P001IDI1_033618DB-147055
Database identifiers
- CAS
691862-37-0- PubChem CID
- 734348
- ChEMBL
CHEMBL2298893- EC Number
- 824-672-7
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 429.7 · 429.7±55.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 15.5 · 15.50±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…