Cas no 58841-44-4 (Benzenamine, 4-[[2-(methylthio)ethyl]thio]-2-nitro-)
![Benzenamine, 4-[[2-(methylthio)ethyl]thio]-2-nitro- structure](https://ossimg.kuujia.com/scimg/59000/58841-44-4x500.png)
58841-44-4 structure
Product Name:Benzenamine, 4-[[2-(methylthio)ethyl]thio]-2-nitro-
CAS No:58841-44-4
MF:C9H12N2O2S2
MW:244.333779335022
CID:340651
PubChem ID:53638273
Update Time:2025-04-19
Benzenamine, 4-[[2-(methylthio)ethyl]thio]-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-[[2-(methylthio)ethyl]thio]-2-nitro-
- 4-(2-methylsulfanylethylsulfanyl)-2-nitroaniline
- 1-amino-2-nitro-4-methylthioethylthiobenzene
- AEGCMDIUFPQRIH-UHFFFAOYSA-N
- 58841-44-4
- SCHEMBL11833302
- DTXSID10705574
- 4-{[2-(Methylsulfanyl)ethyl]sulfanyl}-2-nitroaniline
-
- Inchi： 1S/C9H12N2O2S2/c1-14-4-5-15-7-2-3-8(10)9(6-7)11(12)13/h2-3,6H,4-5,10H2,1H3
- InChI Key： AEGCMDIUFPQRIH-UHFFFAOYSA-N
- SMILES： S(CCSC)C1C=CC(=C(C=1)[N+](=O)[O-])N
Computed Properties
- Exact Mass: 244.03416
- Monoisotopic Mass: 244.03401998g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 211
- 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: 2.4
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 69.16
Benzenamine, 4-[[2-(methylthio)ethyl]thio]-2-nitro- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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