2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Basic information
- CAS
13130-43-3- Standard SMILES
CC(=O)Nc1sc2c(c1C(=O)O)CCCC2- InChIKey
YQJPHNLITLRBAJ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- IUPAC
- 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- English name
- 2-ACETYLAMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID
- Molecular formula
- C11H13NO3S
- Molecular weight
- 239.29
Names & synonyms
13130-43-32-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acidDTXSID00337247RefChem:462740DTXCID90288335858-302-02-(Acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid2-Acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acidMFCD002283232-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acidBenzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-
Show more names
2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
YQJPHNLITLRBAJ-UHFFFAOYSA-NEnamine_000195CBDivE_004024SCHEMBL3918254HMS1394I19ALBB-006645BBL000094SBB048304
Database identifiers
- CAS
13130-43-3- PubChem CID
- 540569
- DTXSID
DTXSID00337247- EC Number
- 858-302-0
- Nikkaji
- J1.593.584G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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]
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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