Cas no 18491-91-3 (Benzenamine,4,4'-sulfonylbis[2-nitro-)
18491-91-3 structure
Product Name:Benzenamine,4,4'-sulfonylbis[2-nitro-
CAS No:18491-91-3
MF:C12H10N4O6S
MW:338.296000957489
CID:227273
PubChem ID:257658
Update Time:2025-04-19
Benzenamine,4,4'-sulfonylbis[2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Bis[3-nitro-4-aminophenyl]sulfone
- NSC-86042
- SCHEMBL1564742
- 4,4'-Sulfonylbis(2-nitroaniline)-{4-[(4-amino-3-nitrophenyl)sulfonyl]-2-nitrophenyl}amine
- SR-01000197734
- SR-01000197734-1
- DTXSID40292841
- 4,4'-diamino-3,3'-dinitrodiphenyl sulfone
- XJRXNRFOESSSRE-UHFFFAOYSA-N
- 18491-91-3
- NSC86042
- AKOS002384410
- 4-(4-amino-3-nitro-phenyl)sulfonyl-2-nitro-aniline
- 4-[(4-Amino-3-nitrophenyl)sulfonyl]-2-nitrophenylamine #
- Benzenamine,4,4'-sulfonylbis[2-nitro-
-
- Inchi： 1S/C12H10N4O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
- InChI Key： XJRXNRFOESSSRE-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C=1)[N+](=O)[O-])N)(C1C=CC(=C(C=1)[N+](=O)[O-])N)(=O)=O
Computed Properties
- Exact Mass: 338.0322
- Monoisotopic Mass: 338.03210523g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 522
- 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: 2.1
- Topological Polar Surface Area: 186?2
Experimental Properties
- PSA: 172.46
Benzenamine,4,4'-sulfonylbis[2-nitro- Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
18491-91-3 (Benzenamine,4,4'-sulfonylbis[2-nitro-) Related Products
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