Cas no 89846-89-9 ( )
structure
Product Name:
CAS No:89846-89-9
MF:C9H10N2O4S2
MW:274.316699504852
CID:993887
PubChem ID:262733
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dinitro-1-(propan-2-yldisulfanyl)benzene
- NSC96670
- NSC-96670
- DTXSID60294443
- NCIOpen2_007247
- 89846-89-9
-
-
- Inchi: 1S/C9H10N2O4S2/c1-6(2)16-17-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6H,1-2H3
- InChI Key: NIHIVDGWEUZCEL-UHFFFAOYSA-N
- SMILES: S(C(C)C)SC1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 274.008
- Monoisotopic Mass: 274.008
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 2.9
- Topological Polar Surface Area: 142?2
Experimental Properties
- Density: 1.43
- Boiling Point: 383.4°C at 760 mmHg
- Flash Point: 185.7°C
- Refractive Index: 1.635
- PSA: 142.24000
- LogP: 4.69810
Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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