Basic information
- CAS
101667-97-4- Standard SMILES
Cc1c(C(=O)O)sc2nc[nH]c(=O)c12- InChIKey
CYNGLBSDKJIAOD-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3S
- Average molar mass
- 210.21 g/mol
- Monoisotopic mass
- 210.00991305
Names & identifiers
- Preferred name
- 5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
- English name
- 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid
- Molecular formula
- C8H6N2O3S
- Molecular weight
- 210.21
Names & synonyms
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxylic acidRefChem:537147675-249-7101667-97-45-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acidMFCD004636205-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acidCHEMBL1965658Thieno[2,3-d]pyrimidine-6-carboxylic acid, 1,4-dihydro-5-methyl-4-oxo-
Show more names
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyriMidine-6-carboxylic5-methyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid(SALTDATA: FREE)
CCG-125304F3250-06125-methyl-3,4-dihydrothieno[2,3-d]pyrimid-4-one-6-carboxylic acidNSC723454TimTec1_008104SCHEMBL263739SCHEMBL30987690DTXSID50328084
Database identifiers
- CAS
101667-97-4- PubChem CID
- 405802
- DTXSID
DTXSID50328084- ChEMBL
CHEMBL1965658- EC Number
- 675-249-7
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
- 14
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 300 °C · 300 °C(Solv: 1,4-dioxane (123-91-1))
- Boiling point
- 571.8 · 571.8±50.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Suppliers10 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
10 records
Compound notes
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