Cas no 253425-85-3 (2-[(allylamino)(methylthio)methylidene]malononitrile)
![2-[(allylamino)(methylthio)methylidene]malononitrile structure](https://ossimg.kuujia.com/scimg/253500/253425-85-3x500.png)
253425-85-3 structure
Product Name:2-[(allylamino)(methylthio)methylidene]malononitrile
CAS No:253425-85-3
MF:C8H9N3S
MW:179.242159605026
CID:3057087
Update Time:2025-04-03
2-[(allylamino)(methylthio)methylidene]malononitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-[(allylamino)(methylthio)methylidene]malononitrile
- 2-[methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile
- Propanedinitrile, 2-[(methylthio)(2-propen-1-ylamino)methylene]-
-
- MDL： MFCD00205377
- Inchi： 1S/C8H9N3S/c1-3-4-11-8(12-2)7(5-9)6-10/h3,11H,1,4H2,2H3
- InChI Key： ZDBBXMPHLVYDGW-UHFFFAOYSA-N
- SMILES： C(#N)/C(=C(\SC)/NCC=C)/C#N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
Experimental Properties
- Density: 1.131±0.06 g/cm3(Predicted)
- Boiling Point: 444.0±45.0 °C(Predicted)
- pka: -3.68±0.70(Predicted)
2-[(allylamino)(methylthio)methylidene]malononitrile Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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