Cas no 55243-35-1 (Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]-)
![Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]- structure](https://ossimg.kuujia.com/scimg/55500/55243-35-1x500.png)
55243-35-1 structure
Product Name:Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]-
CAS No:55243-35-1
MF:C10H16N2S
MW:196.312440872192
CID:352450
PubChem ID:10943427
Update Time:2025-04-19
Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]-
- 2-[2-(dimethylamino)ethylamino]benzenethiol
- 2-(2-dimethylaminoethylamino)thiophenol
- 55243-35-1
- SCHEMBL7906171
- DTXSID80449231
- PICOOGWNDFNEFB-UHFFFAOYSA-N
- 2-(2-(dimethylamino)ethylamino)benzenethiol
-
- Inchi： 1S/C10H16N2S/c1-12(2)8-7-11-9-5-3-4-6-10(9)13/h3-6,11,13H,7-8H2,1-2H3
- InChI Key： PICOOGWNDFNEFB-UHFFFAOYSA-N
- SMILES： SC1C=CC=CC=1NCCN(C)C
Computed Properties
- Exact Mass: 196.10358
- Monoisotopic Mass: 196.10341969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 139
- 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: 16.3?2
Experimental Properties
- PSA: 15.27
Benzenethiol, 2-[[2-(dimethylamino)ethyl]amino]- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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