Cas no 51245-80-8 (2-Propenenitrile, 3,3-bis(methylthio)-)
51245-80-8 structure
Product Name:2-Propenenitrile, 3,3-bis(methylthio)-
CAS No:51245-80-8
MF:C5H7NS2
MW:145.24577832222
CID:1570835
PubChem ID:5325445
Update Time:2025-04-21
2-Propenenitrile, 3,3-bis(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenenitrile, 3,3-bis(methylthio)-
- 3,3-bis(methylsulfanyl)prop-2-enenitrile
- HFVCCDWVYQHTNK-UHFFFAOYSA-
- InChI=1/C5H7NS2/c1-7-5(8-2)3-4-6/h3H,1-2H3
- SCHEMBL1059784
- 3,3-bis(methylsulfanyl)acrylonitrile
- 3,3-Bis-methylsulfanyl-acrylonitrile
- HFVCCDWVYQHTNK-UHFFFAOYSA-N
- DTXSID10416012
- 3,3-bis(methylthio)acrylonitrile
- 3,3-bis(methylsulfanyl)-acrylonitrile
- 51245-80-8
-
- Inchi： 1S/C5H7NS2/c1-7-5(8-2)3-4-6/h3H,1-2H3
- InChI Key： HFVCCDWVYQHTNK-UHFFFAOYSA-N
- SMILES： S(C)/C(=C/C#N)/SC
Computed Properties
- Exact Mass: 145.00211
- Monoisotopic Mass: 145.00199157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 74.4?2
Experimental Properties
- PSA: 23.79
2-Propenenitrile, 3,3-bis(methylthio)- 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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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