Cas no 19607-50-2 ( )
structure
Product Name:
CAS No:19607-50-2
MF:C7H6N2S2
MW:182.265938282013
CID:908250
PubChem ID:319374
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(1,3-dithian-2-ylidene)propanedinitrile
- [1,3]dithian-2-ylidene-malononitrile
- 2-(1,3-dithian-2-ylidene)-propanedinitrile
- AC1L8039
- NSC263511
- NSC-263511
- 19607-50-2
- (1,3-Dithian-2-ylidene)propanedinitrile
- DTXSID30312820
-
-
- Inchi： 1S/C7H6N2S2/c8-4-6(5-9)7-10-2-1-3-11-7/h1-3H2
- InChI Key： BUZGQJMXYBXGMF-UHFFFAOYSA-N
- SMILES： S1/C(=C(\C#N)/C#N)/SCCC1
Computed Properties
- Exact Mass: 181.99738
- Monoisotopic Mass: 181.99724055g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 249
- 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: 1.5
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- PSA: 47.58
- LogP: 2.11526
Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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