Basic information
- CAS
146628-89-9- Standard SMILES
Cc1nc2sc(C(=O)O)c(C)c2c(=O)[nH]1- InChIKey
PNKDOXHMMQRMAG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.0255633
Names & identifiers
- Preferred name
- 2,5-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxylic acid
- IUPAC
- 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- English name
- 2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA: FREE)
- Molecular formula
- C9H8N2O3S
- Molecular weight
- 224.24
Names & synonyms
2,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid2,5-dimethyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxylic acidRefChem:444554832-202-7146628-89-92,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acidMFCD005208102,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid2,5-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid2,5-DIMETHYL-4-OXO-3,4-DIHYDRO-THIENO[2,3-D]-PYRIMIDINE-6-CARBOXYLIC ACID2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA: FREE)
Show more names
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-2,5-dimethyl-4-oxo-2,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA1,4-Dihydro-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid - [AC77865]
2,5-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidine-6-carboxylic acidCHEMBL4128086DTXSID50351938WFA62889SBB078131STK609073STK801402AKOS000301088
Database identifiers
- CAS
146628-89-9- PubChem CID
- 714490
- DTXSID
DTXSID50351938- ChEMBL
CHEMBL4128086- EC Number
- 832-202-7
- Nikkaji
- J2.578.050G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 389 °C · 389 °C
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H319-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2,5-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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