2-Amino-3-cyano-4-methyl-5-phenylthiophene
Basic information
- CAS
42160-26-9- Standard SMILES
Cc1c(-c2ccccc2)sc(N)c1C#N- InChIKey
ALTJGNDYZQYJSC-UHFFFAOYSA-N- Molecular formula
- C12H10N2S
- Average molar mass
- 214.29 g/mol
- Monoisotopic mass
- 214.0564695
Names & identifiers
- Preferred name
- 2-Amino-3-cyano-4-methyl-5-phenylthiophene
- IUPAC
- 2-amino-4-methyl-5-phenylthiophene-3-carbonitrile
Names & synonyms
2-Amino-4-methyl-5-phenylthiophene-3-carbonitrile42160-26-92-Amino-4-methyl-5-phenyl-3-thiophenecarbonitrile4IIO6GJS6V2-Amino-3-cyano-4-methyl-5-phenylthiopheneNSC 209020NSC-2090203-Thiophenecarbonitrile, 2-amino-4-methyl-5-phenyl-DTXSID20194990RefChem:463873DTXCID60117481890-233-1
Show more names
NSC209020CHEMBL5655022-Amino-4-methyl-5-phenyl-thiophene-3-carbonitrileMaybridge3_001212UNII-4IIO6GJS6VCambridge id 5175071SCHEMBL10710844HMS1434H02
Database identifiers
- CAS
42160-26-9- PubChem CID
- 308248
- DTXSID
DTXSID20194990- ChEMBL
CHEMBL565502- UNII
- 4IIO6GJS6V
- EC Number
- 890-233-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
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, P317, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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