Cas no 131424-34-5 (2-Propenoic acid, 3-thiocyanato-, (Z)-)
131424-34-5 structure
Product Name:2-Propenoic acid, 3-thiocyanato-, (Z)-
CAS No:131424-34-5
MF:C4H3NO2S
MW:129.137119531631
CID:2770224
PubChem ID:304270
Update Time:2025-04-21
2-Propenoic acid, 3-thiocyanato-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- X5VW2SN8Q8
- DS-013644
- NSC-195458
- 2-Propenoic acid, 3-thiocyanato-, (Z)-
- 3-Thiocyanato-2-propenoic acid
- 2-Propenoic acid, 3-thiocyanato-
- DTXSID70307856
- 131424-34-5
-
- Inchi： 1S/C4H3NO2S/c5-3-8-2-1-4(6)7/h1-2H,(H,6,7)
- InChI Key： OQYPGQSDSUQZBM-UHFFFAOYSA-N
- SMILES： S(C#N)C=CC(=O)O
Computed Properties
- Exact Mass: 128.98844951g/mol
- Monoisotopic Mass: 128.98844951g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.6
- Topological Polar Surface Area: 86.4?2
2-Propenoic acid, 3-thiocyanato-, (Z)- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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