Cas no 5634-08-2 (Propanedinitrile, 1,3-dithiol-2-ylidene-)
5634-08-2 structure
Product Name:Propanedinitrile, 1,3-dithiol-2-ylidene-
CAS No:5634-08-2
MF:C6H2N2S2
MW:166.223477840424
CID:1602262
PubChem ID:71444734
Update Time:2025-04-21
Propanedinitrile, 1,3-dithiol-2-ylidene- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, 1,3-dithiol-2-ylidene-
- 2-dicyanomethylene-1,3-dithiole
- DTXSID40853491
- (1,3-Dithiol-2-ylidene)propanedinitrile
- propanedinitrile, 2-(1,3-dithiol-2-ylidene)-
- 2-(1,3-dithiol-2-ylidene)malononitrile
- 5634-08-2
- SCHEMBL12002549
- 1,3-dithiol-2-ylidenepropanedinitrile
- PZBVFWGVGHNQMI-UHFFFAOYSA-N
- (2H-1,3-Dithiol-2-ylidene)propanedinitrile
-
- Inchi： 1S/C6H2N2S2/c7-3-5(4-8)6-9-1-2-10-6/h1-2H
- InChI Key： PZBVFWGVGHNQMI-UHFFFAOYSA-N
- SMILES： S1C=CS/C/1=C(\C#N)/C#N
Computed Properties
- Exact Mass: 165.96606
- Monoisotopic Mass: 165.96594042g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 268
- 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: 1.2
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- PSA: 47.58
Propanedinitrile, 1,3-dithiol-2-ylidene- Related Literature
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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