Cas no 25858-77-9 ((2E)-3-(carbamothioylsulfanyl)prop-2-enoic acid)
25858-77-9 structure
Product Name:(2E)-3-(carbamothioylsulfanyl)prop-2-enoic acid
CAS No:25858-77-9
MF:C4H5NO2S2
MW:163.21799826622
CID:914082
PubChem ID:5383647
Update Time:2025-04-19
(2E)-3-(carbamothioylsulfanyl)prop-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2E)-3-(carbamothioylsulfanyl)prop-2-enoic acid
- (E)-3-carbamothioylsulfanylprop-2-enoic acid
- 3c-thiocarbamoylsulfanyl-acrylic acid
- AC1NTLRL
- NSC178844
- NSC-178844
- DTXSID60419412
- 25858-77-9
-
- Inchi： 1S/C4H5NO2S2/c5-4(8)9-2-1-3(6)7/h1-2H,(H2,5,8)(H,6,7)/b2-1+
- InChI Key： XJJLMGSWJWYYOA-OWOJBTEDSA-N
- SMILES： S(C(N)=S)/C=C/C(=O)O
Computed Properties
- Exact Mass: 162.97625
- Monoisotopic Mass: 162.97617075g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- 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
- XLogP3: 0.3
- Topological Polar Surface Area: 121?2
Experimental Properties
- PSA: 63.32
- LogP: 1.26180
(2E)-3-(carbamothioylsulfanyl)prop-2-enoic acid Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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