Cas no 65200-27-3 ((z)-3-thiocyanatoprop-2-enoic Acid)
65200-27-3 structure
Product Name:(z)-3-thiocyanatoprop-2-enoic Acid
CAS No:65200-27-3
MF:C4H3NO2S
MW:129.137119531631
CID:961603
PubChem ID:5383815
Update Time:2025-04-19
(z)-3-thiocyanatoprop-2-enoic Acid Chemical and Physical Properties
Names and Identifiers
-
- (z)-3-thiocyanatoprop-2-enoic Acid
- OQYPGQSDSUQZBM-UPHRSURJSA-N
- 2-Propenoic acid, 3-thiocyanato-
- 65200-27-3
- (2Z)-3-thiocyanato-2-propenoic acid
- DTXSID90419445
- Cis-3-thiocyanoacrylic acid
- NSC-195458
- NSC195458
- SCHEMBL9224089
-
- Inchi： 1S/C4H3NO2S/c5-3-8-2-1-4(6)7/h1-2H,(H,6,7)/b2-1-
- InChI Key： OQYPGQSDSUQZBM-UPHRSURJSA-N
- SMILES： S(C#N)/C=C\C(=O)O
Computed Properties
- Exact Mass: 128.98849
- Monoisotopic Mass: 128.988449
- 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: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 86.4
- XLogP3: 0.6
Experimental Properties
- Density: 1.432
- Boiling Point: 316°C at 760 mmHg
- Flash Point: 144.9°C
- Refractive Index: 1.582
- PSA: 61.09
- LogP: 0.79898
(z)-3-thiocyanatoprop-2-enoic Acid Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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