Basic information
- CAS
103765-33-9- Standard SMILES
COC(=O)c1sc(N)c(C(=O)OC)c1C- InChIKey
JNLHLSOENLVUIJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- 2,4-Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
- IUPAC
- dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate
- English name
- 5-AMINO-3-METHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
- Molecular formula
- C9H11NO4S
- Molecular weight
- 229.25
Names & synonyms
2,4-dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylateRefChem:443712672-036-0103765-33-9dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylateMFCD001595535-Amino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester5-Amino-3-methylthiophene-2,4-dicarboxylic acid dimethyl esterDimethyl 5-amino-3-methyl-2,4-thiophenedicarboxylateDimethyl 5-amino-3-methylthiophene-24-dicarboxylatemethyl 5-amino-4-(methoxycarbonyl)-3-methylthiophene-2-carboxylateJNLHLSOENLVUIJ-UHFFFAOYSA-N
Show more names
AKOS B000485AKOS NCG-0060ART-CHEM-BB B000485TIMTEC-BB SBB009175OTAVA-BB BB70203102525-Amino-3-methylthiophene-2,4-dicarboxylic aciddiumethyl5-AMINO-3-METHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTE
2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, dimethyl esterDimethyl5-amino-3-methylthiophene-2,4-dicarboxylateDimethyl 5-amino-3-methyl-thiophene-2,4-dicarboxylateSCHEMBL3239048DTXSID80345860HMS1698B03ALBB-001627BBL007179
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 142 · 142-143°C
- Boiling point
- 346.9 · 346.9±37.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.58 · -0.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Usesdimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate is a useful reactant for the synthesis of fused pyrimidin-4-ones, and substituted thieno[2,3-d]pyrimidin-4(3H)-one derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [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 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…