Cas no 109334-45-4 (Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-)
109334-45-4 structure
Product Name:Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-
CAS No:109334-45-4
MF:C16H20N2S2
MW:304.473401069641
CID:1187168
PubChem ID:11141259
Update Time:2025-04-20
Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis-
- 2-[methyl-[2-(N-methyl-2-sulfanylanilino)ethyl]amino]benzenethiol
- 109334-45-4
- n,n'-dimethyl-n,n'-bis(2-mercaptophenyl)ethylenediamine
- DTXSID20456742
-
- Inchi: 1S/C16H20N2S2/c1-17(13-7-3-5-9-15(13)19)11-12-18(2)14-8-4-6-10-16(14)20/h3-10,19-20H,11-12H2,1-2H3
- InChI Key: VJWZMJMBRUMSAY-UHFFFAOYSA-N
- SMILES: SC1C=CC=CC=1N(C)CCN(C)C1C=CC=CC=1S
Computed Properties
- Exact Mass: 304.107
- Monoisotopic Mass: 304.10679099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 260
- 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: 4.2
- Topological Polar Surface Area: 8.5?2
Experimental Properties
- PSA: 6.48
Benzenethiol, 2,2'-[1,2-ethanediylbis(methylimino)]bis- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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