2-(3-Methyl-1,3-benzothiazol-2-ylidene)propanedinitrile
Basic information
- CAS
126772-91-6- Standard SMILES
CN1C(=C(C#N)C#N)Sc2ccccc21- InChIKey
ZDVFTVDBIOHVSN-UHFFFAOYSA-N- Molecular formula
- C11H7N3S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.03606841
Names & identifiers
- Preferred name
- 2-(3-Methyl-1,3-benzothiazol-2-ylidene)propanedinitrile
- IUPAC
- 2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedinitrile
- English name
- 2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)malononitrile
- Molecular formula
- C11H7N3S
- Molecular weight
- 213.26
Names & synonyms
2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedinitrile126772-91-62-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)malononitrileSCHEMBL14582047STK354671AKOS000581649ST50250466AS-871/403879662-(3-methylbenzo[d]thiazol-2(3H)-ylidene)malononitrile(3-methyl-1,3-benzothiazol-2(3H)-ylidene)propanedinitrile(3-methyl-3-hydrobenzothiazol-2-ylidene)methane-1,1-dicarbonitrilePropanedinitrile, 2-(3-methyl-2(3H)-benzothiazolylidene)-
Database identifiers
- CAS
126772-91-6- PubChem CID
- 854801
- EC Number
- 140-645-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 377
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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