Basic information
- CAS
178870-02-5- Standard SMILES
CC1=C(C(=S)Nc2ccc(Cl)c(C=NOC(C)(C)C)c2)CCCO1- InChIKey
NQEWIHSQMLOVRV-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O2S
- Average molar mass
- 366.9 g/mol
- Monoisotopic mass
- 366.1168768
Names & identifiers
- Preferred name
- 2H-Pyran-5-carbothioamide, N-(4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-3,4-dihydro-6-methyl-
- IUPAC
- N-[4-chloro-3-[(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carbothioamide
Names & synonyms
178870-02-52H-Pyran-5-carbothioamide, N-(4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-3,4-dihydro-6-methyl-2H-Pyran-5-carbothioamide, N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-3,4-dihydro-6-methyl-Pyrancarbothioanilide deriv.DTXSID00939124N-[3-(tert-butoxyiminomethyl)-4-chloro-phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carbothioamideN-{3-[(tert-Butoxyimino)methyl]-4-chlorophenyl}-6-methyl-3,4-dihydro-2H-pyran-5-carbothioamide
Database identifiers
- CAS
178870-02-5- PubChem CID
- 3000893
- DTXSID
DTXSID00939124
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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