Basic information
- CAS
19688-55-2- Standard SMILES
CC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1- InChIKey
WQWKNHMUSMKWBF-UHFFFAOYSA-N- Molecular formula
- C14H10ClNO3S
- Average molar mass
- 307.8 g/mol
- Monoisotopic mass
- 307.006992
Names & identifiers
- Preferred name
- 1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one
- IUPAC
- 1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]ethanone
- English name
- 1-(4-[(4-CHLOROPHENYL)THIO]-3-NITROPHENYL)ETHAN-1-ONE
- Molecular formula
- C14H10ClNO3S
- Molecular weight
- 307.75
Names & synonyms
19688-55-21-(4-[(4-CHLOROPHENYL)THIO]-3-NITROPHENYL)ETHAN-1-ONE1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]ethanone1-(4-((4-Chlorophenyl)thio)-3-nitrophenyl)ethanone1-(4-((4-Chlorophenyl)thio)-3-nitrophenyl)ethan-1-one1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethan-1-oneMaybridge1_0042831-acetyl-4-(4-chlorophenylthio)-3-nitrobenzene1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethanoneHMS553K17DTXSID30353091STK687257
Show more names
4'-Chlor-2-nitro-4-acetyl-diphenylsulfid4-(4-CHLOROPHENYLTHIO)-3-NITROACETOPHENONEEthanone, 1-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]-
AKOS001047531ST4123459CS-0275135Z31207248
Database identifiers
- CAS
19688-55-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 133 °C · 133 °C
- Boiling point
- 433.1 · 433.1±45.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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