Basic information
- CAS
111042-89-8- Standard SMILES
COC(=O)c1sc2ncccc2c1N- InChIKey
STCNNBXPNILVDE-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylate
- IUPAC
- methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
- English name
- Methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate111042-89-8DTXSID20384874Methyl 3-aminothieno(2,3-b)pyridine-2-carboxylateRefChem:1089401DTXCID90335898MFCD00174679methyl 3-aminothiopheno[2,3-b]pyridine-2-carboxylateMethyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate3-Aminothieno[2,3-b]pyridine-2-carboxylic acid methyl esterThieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-, methyl esterMaybridge3_003823
Show more names
AKOS 936083-aminothieno[2,3-b]pyridine-2- carboxyL3-AMino-2-carboMethoxythieno[2,3-b]pyridine2-(Methoxycarbonyl)thieno[2,3-b]pyridin-3-amineMethyl 3-aminothieno[2,3-β]pyridine-2-carboxylate3-Aminopyridine thiophene-2-carboxylic acid methyl ester3-AMino-thieno[2,3-b]pyridin-2-carboxylic acid Methyl ester
orb3029760SCHEMBL2896095HMS1441N17HMS3436J08Fr21232ALBB-004827CCG-56260SBB014196
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 198 · 198-200°C
- Boiling point
- 377.6 · 377.6±37.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 4.96 · 4.96±0.40(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers76 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司
Related reactions
6 records
Compound notes
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