Cas no 2486-09-1 (Benzene,2,4-dinitro-1-(phenylthio)-)
2486-09-1 structure
Product Name:Benzene,2,4-dinitro-1-(phenylthio)-
CAS No:2486-09-1
MF:C12H8N2O4S
MW:276.267921447754
CID:251464
PubChem ID:2801602
Update Time:2025-04-19
Benzene,2,4-dinitro-1-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2,4-dinitro-1-(phenylthio)-
- 2,4-Dinitrodiphenyl sulfide;2,4-dinitrophenyl phenyl sulphide;2,4-dinitro-1-phenylsulfanyl-benzene;2,4-dinitrophenyl phenylsulfide;
- AEJUUUJRUDHVBS-UHFFFAOYSA-N
- 2486-09-1
- SCHEMBL6039967
- AKOS001482401
- 2,4-DINITRO-1-(PHENYLSULFANYL)BENZENE
- 2,4-dinitrophenyl phenylsulfide
- HMS547B03
- Bio1B10
- Maybridge1_001961
- phenyl 2,4-dinitrophenyl sulfide
- 2,4-dinitro-1-phenylsulfanylbenzene
- 2,4-dinitrophenyl phenyl sulfide
-
- Inchi： 1S/C12H8N2O4S/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H
- InChI Key： AEJUUUJRUDHVBS-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 276.02000
- Monoisotopic Mass: 276.02047791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 336
- 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: 3.6
- Topological Polar Surface Area: 117?2
Experimental Properties
- PSA: 116.94000
- LogP: 4.70060
Benzene,2,4-dinitro-1-(phenylthio)- Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Benzene,2,4-dinitro-1-(phenylthio)- Related Literature
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1. Thermal decomposition of sulphenyl carboxylatesPeter A. Bell,Donald R. Hogg,Alexander Robertson J. Chem. Soc. Perkin Trans. 1 1978 1246
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2. Acyl–oxygen versus aryl–oxygen bond scission in reactions of benzenethiolate with nitrophenyl esters of carboxylic acidsGiuseppe Guanti,Carlo Dell'Erba,Francesca Pero,Giuseppe Leandri J. Chem. Soc. Perkin Trans. 2 1977 966
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Dnyaneshwar Kand,Pratyush Kumar Mishra,Tanmoy Saha,Mayurika Lahiri,Pinaki Talukdar Analyst 2012 137 3921
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Jennifer A. Melanson,Carlotta Figliola,Deborah A. Smithen,Aleksandra K. Kajetanowicz,Alison Thompson Org. Biomol. Chem. 2017 15 144
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5. 319. Oxidation of organic sulphides. Part XI. The synthesis of specifically labelled phenyl [35S] benzenethiolsulphinate and phenyl benzenethiol [35S] sulphonateD. Barnard,E. J. Percy J. Chem. Soc. 1962 1667
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