Basic information
- CAS
22865-48-1- Standard SMILES
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
DLQBSTSAXPLSIP-UHFFFAOYSA-N- Molecular formula
- C13H11NO2S
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.05104977
Names & identifiers
- Preferred name
- p-((p-Nitrophenyl)thio)toluene
- IUPAC
- 1-methyl-4-(4-nitrophenyl)sulfanylbenzene
- English name
- p-[(p-nitrophenyl)thio]toluene
- Molecular formula
- C13H11NO2S
- Molecular weight
- 245.29694
Names & synonyms
p-((p-Nitrophenyl)thio)toluene22865-48-11-methyl-4-(4-nitrophenyl)sulfanylbenzeneSKB6D2FB97P-[(P-NITROPHENYL)THIO]TOLUENEEINECS 245-271-8NSC-1496531-Methyl-4-[(4-nitrophenyl)thio]benzeneBenzene, 1-methyl-4-((4-nitrophenyl)thio)-DTXSID20177405NSC 1496531-METHYL-4-((4-NITROPHENYL)THIO)BENZENE
Show more names
4-Methylphenyl 4-nitrophenyl sulfide4-Nitrophenyl 4-methylphenyl sulfide4-Nitrophenyl(4-methylphenyl) sulfide4-Methylphenyl(4-nitrophenyl) sulfide(4-Methylphenyl)(4-nitrophenyl) sulfide
RefChem:169253DTXCID7099896245-271-8(4-nitrophenyl)(p-tolyl)sulfane1-methyl-4-[(4-nitrophenyl)sulfanyl]benzeneNSC149653UNII-SKB6D2FB97SCHEMBL6577902
Database identifiers
- CAS
22865-48-1- PubChem CID
- 89869
- DTXSID
DTXSID20177405- UNII
- SKB6D2FB97
- EC Number
- 245-271-8
- Nikkaji
- J286.327H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- FDA UNII
- 6 D2FB97 · SKB6D2FB97
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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