Sbb029873
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Basic information
- CAS
20886-87-7- Standard SMILES
NC(=O)c1c(NC(=O)CCl)sc2c1CCCC2- InChIKey
XRKRPMKJSPGFRD-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O2S
- Average molar mass
- 272.75 g/mol
- Monoisotopic mass
- 272.03862634
Names & identifiers
- Preferred name
- Sbb029873
- IUPAC
- 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide
- Molecular formula
- C11H13ClN2O2S
- Molecular weight
- 272.75
Names & synonyms
20886-87-7SBB029873DTXSID20351400RefChem:379943DTXCID103024662-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid amide2-(2-chloroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-[(chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideMFCD00226747C11H13ClN2O2S2-(2-Chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Show more names
AKOS 93016AKOS B006560AURORA 22674AKOS BBS-00006404ART-CHEM-BB B0065602-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide2-(2-CL-ACETYLAMINO)-4,5,6,7-4H-BENZO(B)THIOPHENE-3-CARBOXYLIC ACID AMIDE
Benzo[b]thiophene-3-carboxamide, 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxamide, 2-[(chloroacetyl)amino]-4,5,6,7-tetrahydro-2-(2-chloroacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideSCHEMBL1007246XRKRPMKJSPGFRD-UHFFFAOYSA-NALBB-028757BBL000281STK280666
Database identifiers
- CAS
20886-87-7- PubChem CID
- 699491
- DTXSID
DTXSID20351400- EC Number
- 978-801-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Melting point
- 242 · 242-243 °C(Solv: ethanol (64-17-5))
- Boiling point
- 456.8 · 456.8±45.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- 12.14 · 12.14±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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