2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
Basic information
- CAS
6974-52-3- Standard SMILES
Cc1scnc1C(C#N)(c1ccccc1)c1ccccc1- InChIKey
YSRSDZZYKLSIJT-UHFFFAOYSA-N- Molecular formula
- C18H14N2S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.08776963
Names & identifiers
- Preferred name
- 2-(5-Methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
- IUPAC
- 2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile
- English name
- 2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenyl-acetonitrile
- Molecular formula
- C18H14N2S
- Molecular weight
- 0
Names & synonyms
6974-52-3NSC238302-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenylacetonitrile4-Thiazoleacetonitrile,5-methyl-a,a-diphenyl-DTXSID90282015NSC-23830DS-005536(5-Methyl-1,3-thiazol-4-yl)di(phenyl)acetonitrile2-(5-methyl-1,3-thiazol-4-yl)-2,2-diphenyl-acetonitrile
Database identifiers
- CAS
6974-52-3- PubChem CID
- 229829
- DTXSID
DTXSID90282015
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Comptox DTXSID
- 90282015 · DTXSID90282015
- HS Code
- 2934100090 · 2934100090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934100090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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