Cas no 139483-31-1 (Acetonitrile, 2,2'-[[4-(dimethylamino)-1,2-phenylene]bis(thio)]bis-)
139483-31-1 structure
Product Name:Acetonitrile, 2,2'-[[4-(dimethylamino)-1,2-phenylene]bis(thio)]bis-
CAS No:139483-31-1
MF:C12H13N3S2
MW:263.381719350815
CID:1272096
PubChem ID:15155753
Update Time:2025-04-20
Acetonitrile, 2,2'-[[4-(dimethylamino)-1,2-phenylene]bis(thio)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, 2,2'-[[4-(dimethylamino)-1,2-phenylene]bis(thio)]bis-
- 2-[2-(cyanomethylsulfanyl)-4-(dimethylamino)phenyl]sulfanylacetonitrile
- 2,2'-{[4-(Dimethylamino)-1,2-phenylene]disulfanediyl}diacetonitrile
- 2,2'-((4-(Dimethylamino)-1,2-phenylene)bis(sulfanediyl))diacetonitrile
- 139483-31-1
- DTXSID20569260
-
- Inchi: 1S/C12H13N3S2/c1-15(2)10-3-4-11(16-7-5-13)12(9-10)17-8-6-14/h3-4,9H,7-8H2,1-2H3
- InChI Key: AQUJDSXMJKXIQT-UHFFFAOYSA-N
- SMILES: S(CC#N)C1=C(C=CC(=C1)N(C)C)SCC#N
Computed Properties
- Exact Mass: 263.05529
- Monoisotopic Mass: 263.05508977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 325
- 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: 2.6
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 50.82
Acetonitrile, 2,2'-[[4-(dimethylamino)-1,2-phenylene]bis(thio)]bis- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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