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17572-18-8 | Ethanimidothioic acid, methyl ester (9CI)
CAS No: 17572-18-8 Catalog No: AG00214O MDL No:
Product Description
Catalog Number:
AG00214O
Chemical Name:
Ethanimidothioic acid, methyl ester (9CI)
CAS Number:
17572-18-8
Molecular Formula:
C3H7NS
Molecular Weight:
89.1594
IUPAC Name:
methyl ethanimidothioate
InChI:
InChI=1S/C3H7NS/c1-3(4)5-2/h4H,1-2H3
InChI Key:
YYKXMTXALJYVCN-UHFFFAOYSA-N
SMILES:
CSC(=N)C
Properties
Complexity:
42.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
89.03g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
89.156g/mol
Monoisotopic Mass:
89.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Chemical reactivity of brome mosaic virus capsid protein. | Journal of molecular biology 20121012 |
| Ratiometric pulse-chase amidination mass spectrometry as a probe of biomolecular complex formation. | Analytical chemistry 20111201 |
| Mass spectrometry- and lysine amidination-based protocol for thermodynamic analysis of protein folding and ligand binding interactions. | Analytical chemistry 20110501 |
| B. subtilis ribosomal proteins: structural homology and post-translational modifications. | Journal of proteome research 20090901 |
| Ribosomal proteins of Deinococcus radiodurans: their solvent accessibility and reactivity. | Journal of proteome research 20090301 |
| Difference in mass analysis using labeled lysines (DIMAL-K): a new, efficient proteomic quantification method applied to the analysis of astrocytic secretomes. | Molecular & cellular proteomics : MCP 20050801 |
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