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Home > Pyridines > 122492-29-9
122492-29-9 | Thiocyanic acid, 4-pyridinylmethyl ester
CAS No: 122492-29-9 Catalog No: AG0017BE MDL No:
Product Description
Catalog Number:
AG0017BE
Chemical Name:
Thiocyanic acid, 4-pyridinylmethyl ester
CAS Number:
122492-29-9
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
IUPAC Name:
pyridin-4-ylmethyl thiocyanate
InChI:
InChI=1S/C7H6N2S/c8-6-10-5-7-1-3-9-4-2-7/h1-4H,5H2
InChI Key:
SGRXIKOKSNLHLH-UHFFFAOYSA-N
SMILES:
N#CSCc1ccncc1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Regioselective covalent modification of hemoglobin in search of antisickling agents. | Journal of medicinal chemistry 20030313 |
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