Methyl 3-amino-4,5-dihydrothiophene-2-carboxylate
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Basic information
- CAS
167280-87-7- Standard SMILES
COC(=O)C1=C(N)CCS1- InChIKey
DPYPWIVLRCXERW-UHFFFAOYSA-N- Molecular formula
- C6H9NO2S
- Average molar mass
- 159.21 g/mol
- Monoisotopic mass
- 159.0353997
Names & identifiers
- Preferred name
- Methyl 3-amino-4,5-dihydrothiophene-2-carboxylate
- IUPAC
- methyl 4-amino-2,3-dihydrothiophene-5-carboxylate
- English name
- 2-Thiophenecarboxylicacid,3-amino-4,5-dihydro-,methylester(9CI)
- Molecular formula
- C6H9NO2S
- Molecular weight
- 159.21
Names & synonyms
167280-87-7methyl 3-amino-4,5-dihydrothiophene-2-carboxylateDTXSID90352045RefChem:354813DTXCID70303111methyl 4-amino-2,3-dihydrothiophene-5-carboxylate3-Amino-4,5-dihydro-thiophene-2-carboxylic acid methyl esterMFCD015701392-Thiophenecarboxylic acid, 3-amino-4,5-dihydro-, methyl ester2-Thiophenecarboxylicacid,3-amino-4,5-dihydro-,methylester(9CI)Maybridge1_003844HMS552G16
Show more names
Oprea1_181027SCHEMBL12578859DPYPWIVLRCXERW-UHFFFAOYSA-NCCG-50310AKOS006279548SB34156SY305236DB-193836
Database identifiers
- CAS
167280-87-7- PubChem CID
- 717296
- DTXSID
DTXSID90352045- Nikkaji
- J645.071G
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 290.7 · 290.7±40.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.71 · 4.71±0.20(Predicted)
- Appearance
- Light yellow to green yellow Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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