2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
Basic information
- CAS
637015-80-6- Standard SMILES
N#CCc1nc(-c2ccc(Cl)c(Cl)c2)cs1- InChIKey
QUKXPETXDIENML-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2N2S
- Average molar mass
- 269.1 g/mol
- Monoisotopic mass
- 267.9628748
Names & identifiers
- Preferred name
- 2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
- IUPAC
- 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
- English name
- 2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile
- Molecular formula
- C11H6Cl2N2S
- Molecular weight
- 269.15
Names & synonyms
637015-80-62-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetonitrile2-(4-(3,4-Dichlorophenyl)thiazol-2-yl)acetonitrileMFCD01765118[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-acetonitrile2-[4-(3,4-dichlorophenyl)thiazol-2-yl]acetonitrileMaybridge4_004317Oprea1_370624SCHEMBL5100600DTXSID70352003HMS1533E05MAB01580
Show more names
AKOS000117318SY131621DB-073366CS-0220319NS00016188EN300-06351E825012-Thiazoleacetonitrile, 4-(3,4-dichlorophenyl)-
Database identifiers
- CAS
637015-80-6- PubChem CID
- 716375
- DTXSID
DTXSID70352003
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Yellow to brown Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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