Basic information
- CAS
50901-18-3- Standard SMILES
CC(=O)Nc1ccsc1C(=O)O- InChIKey
LLKLTQJOEPWBOE-UHFFFAOYSA-N- Molecular formula
- C7H7NO3S
- Average molar mass
- 185.2 g/mol
- Monoisotopic mass
- 185.01466408
Names & identifiers
- Preferred name
- 3-Acetamidothiophene-2-carboxylic acid
- IUPAC
- 3-acetamidothiophene-2-carboxylic acid
- English name
- 3-(Acetylamino)thiophene-2-carboxylic acid
- Molecular formula
- C7H7NO3S
- Molecular weight
- 185.2
Names & synonyms
50901-18-33-acetamidothiophene-2-carboxylic acidDTXSID60384555RefChem:276146DTXCID303355793-(Acetylamino)thiophene-2-carboxylic acidMFCD001013963-(acetylamino)-2-thiophenecarboxylic acid2-Thiophenecarboxylic acid, 3-(acetylamino)-Maybridge3_001402GV9acetylaminothiophenecarboxylic
Show more names
BUTTPARK 99\18-203-acetamido-2-thiophenecarboxylic acid3-(Acetylamino)thiophene-2-carboxylic acid ,97%3-(acetylamino)-2-thiophenecarboxylic acid(SALTDATA: FREE)
Oprea1_041451SCHEMBL1704250LLKLTQJOEPWBOE-UHFFFAOYSA-NHMS1434P16ALBB-0229103-acetamidothiophene-2-carboxylicacidSBB066430AKOS000131384
Database identifiers
- CAS
50901-18-3- PubChem CID
- 2807579
- DTXSID
DTXSID60384555
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 50901 · 50901-18-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- Hazard Note
- Irritant
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety data
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
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Related reactions
6 records
Compound notes
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