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1001-58-7 | Propanenitrile, 3-mercapto-
CAS No: 1001-58-7 Catalog No: AG0000Y1 MDL No:MFCD00054507
Product Description
Catalog Number:
AG0000Y1
Chemical Name:
Propanenitrile, 3-mercapto-
CAS Number:
1001-58-7
Molecular Formula:
C3H5NS
Molecular Weight:
87.1435
MDL Number:
MFCD00054507
IUPAC Name:
3-sulfanylpropanenitrile
InChI:
InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2
InChI Key:
FCTXEFOUDMXDPD-UHFFFAOYSA-N
SMILES:
SCCC#N
EC Number:
213-682-1
Properties
Complexity:
51.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.014g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
87.14g/mol
Monoisotopic Mass:
87.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Fmoc-based synthesis of peptide thioacids for azide ligations via 2-cyanoethyl thioesters. | Organic letters 20121005 |
| Experimental and theoretical investigation of vibrational spectra of coordination polymers based on TCE-TTF. | Chemphyschem : a European journal of chemical physics and physical chemistry 20110801 |
| 4-(2-Cyano-ethyl-sulfan-yl)-5'-(pyridin-4-yl)tetra-thia-fulvalene. | Acta crystallographica. Section E, Structure reports online 20110601 |
| 3-(2-Thioxo-1,3-dithiol-4-ylsulfan-yl)-propane-nitrile. | Acta crystallographica. Section E, Structure reports online 20081101 |
| Synthesis and properties of functionalized 4 nm scale molecular wires with thiolated termini for self-assembly onto metal surfaces. | The Journal of organic chemistry 20080704 |
| Normal carbon acid referencing for protein amide hydrogen exchange. | Magnetic resonance in chemistry : MRC 20070701 |
| Convergent synthesis of 10 nm aryleneethynylene molecular wires by an iterative regioselective deprotection/Sonogashira coupling protocol. | The Journal of organic chemistry 20060106 |
| 3-Mercaptopropionic acid-nitrile imine adducts. An unprecedented cyclization into 1,3,4-thiadiazol-2(3H)-ones and -2(3H)-thiones. | Organic & biomolecular chemistry 20050721 |
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