Basic information
- CAS
329939-05-1- Standard SMILES
Cc1ccc(CNC(=O)c2cccs2)cc1- InChIKey
NUQVSGQAALWHLJ-UHFFFAOYSA-N- Molecular formula
- C13H13NOS
- Average molar mass
- 231.32 g/mol
- Monoisotopic mass
- 231.07178521
Names & identifiers
- Preferred name
- N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
- IUPAC
- N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
- English name
- N-(4-methylbenzyl)thiophene-2-carboxamide
- Molecular formula
- C13H13NOS
- Molecular weight
- 231.31342
Names & synonyms
ox3a329939-05-1N-(4-methylbenzyl)-2-thiophenecarboxamideN-[(4-methylphenyl)methyl]thiophene-2-carboxamideN-(4-methylbenzyl)thiophene-2-carboxamidestarbld0001099orb1701841SCHEMBL29659338GLXC-04394STK045300AKOS001134100ST010685
Show more names
OX-3aOX 3a
CS-0105247T25904N-[(4-methylphenyl)methyl]-2-thienylcarboxamideAK-968/11368654SR-01000478122SR-01000478122-1Z28429553
Database identifiers
- CAS
329939-05-1- PubChem CID
- 710668
- EC Number
- 169-450-4
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Chemistry & industry
Applications
DescriptionOX3a is an orco antagonist. It acts by inhibiting odorant activation of insect Ors.
UsesOX3a is an active compound.
Suppliers5 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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