Basic information
- CAS
19355-98-7- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(N=C=S)cc2)cc1- InChIKey
GATDYRMHVRYQJD-UHFFFAOYSA-N- Molecular formula
- C15H11NO2S
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.05104977
Names & identifiers
- Preferred name
- 4-Isothiocyanatophenyl 4-methylbenzoate
- IUPAC
- (4-isothiocyanatophenyl) 4-methylbenzoate
Names & synonyms
19355-98-74-isothiocyanatophenyl 4-methylbenzoateNSC137464DTXSID90300526NSC-137464
Database identifiers
- CAS
19355-98-7- PubChem CID
- 283153
- DTXSID
DTXSID90300526
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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