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1822-53-3 | 4-Pyridinemethanethiol
CAS No: 1822-53-3 Catalog No: AG0023HB MDL No:MFCD06657437
Product Description
Catalog Number:
AG0023HB
Chemical Name:
4-Pyridinemethanethiol
CAS Number:
1822-53-3
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
MDL Number:
MFCD06657437
IUPAC Name:
pyridin-4-ylmethanethiol
InChI:
InChI=1S/C6H7NS/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
InChI Key:
YUWAUUTYKFAJBH-UHFFFAOYSA-N
SMILES:
SCc1ccncc1
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.189g/mol
Monoisotopic Mass:
125.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Conformation-activity relationship on novel 4-pyridylmethylthio derivatives with antiangiogenic activity. | Bioorganic & medicinal chemistry letters 20080501 |
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