Cas no 22865-48-1 (Benzene,1-methyl-4-[(4-nitrophenyl)thio]-)

Benzene,1-methyl-4-[(4-nitrophenyl)thio]- structure
22865-48-1 structure
Product Name:Benzene,1-methyl-4-[(4-nitrophenyl)thio]-
CAS No:22865-48-1
MF:C13H11NO2S
MW:245.296941995621
CID:284179
PubChem ID:89869
Update Time:2025-04-19

Benzene,1-methyl-4-[(4-nitrophenyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-methyl-4-[(4-nitrophenyl)thio]-
    • 1-methyl-4-(4-nitrophenyl)sulfanylbenzene
    • (4-nitrophenyl)-(4-tolyl)thioether
    • 1-methyl-4-[(4-nitrophenyl)thio]-benzene
    • 4-methyl-4'-nitro-diphenyl sulphide
    • 4-methyl-4'-nitrodiphenylsulfide
    • 4-methylphenyl 4-nitrophenyl sulfide
    • 4-nitro-4'-methyldiphenylsulphide
    • 4-nitrophenyl 4-methylphenyl sulfide
    • AC1L3IS6
    • AC1Q20YN
    • AR-1K9539
    • CCG-43823
    • EINECS 245-271-8
    • NSC149653
    • p-((p-Nitrophenyl)thio)toluene
    • SureCN6577902
    • AKOS003235542
    • NSC-149653
    • NS00027278
    • P-[(P-NITROPHENYL)THIO]TOLUENE
    • Benzene, 1-methyl-4-((4-nitrophenyl)thio)-
    • (4-nitrophenyl)(p-tolyl)sulfane
    • SR-01000633708-1
    • 22865-48-1
    • NSC 149653
    • SCHEMBL6577902
    • SKB6D2FB97
    • 1-[(4-METHYLPHENYL)SULFANYL]-4-NITROBENZENE
    • 1-METHYL-4-((4-NITROPHENYL)THIO)BENZENE
    • UNII-SKB6D2FB97
    • DTXSID20177405
    • Inchi: 1S/C13H11NO2S/c1-10-2-6-12(7-3-10)17-13-8-4-11(5-9-13)14(15)16/h2-9H,1H3
    • InChI Key: DLQBSTSAXPLSIP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)[N+](=O)[O-])C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 245.05113
  • Monoisotopic Mass: 245.05104977g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 251
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.4
  • Topological Polar Surface Area: 71.1?2

Experimental Properties

  • PSA: 43.14
  • LogP: 4.57760
Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.