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2044-73-7 | 2-Pyridinemethanethiol
CAS No: 2044-73-7 Catalog No: AG0029HE MDL No:MFCD00051592
Product Description
Catalog Number:
AG0029HE
Chemical Name:
2-Pyridinemethanethiol
CAS Number:
2044-73-7
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
MDL Number:
MFCD00051592
IUPAC Name:
pyridin-2-ylmethanethiol
InChI:
InChI=1S/C6H7NS/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChI Key:
SJIIDWBFRZACDQ-UHFFFAOYSA-N
SMILES:
SCc1ccccn1
EC Number:
218-061-9
UNII:
PB9B741VC3
NSC Number:
82320
FEMA Number:
3232
Properties
Complexity:
65.5
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 |
|---|---|
| N,N-bis(2-mercaptoethyl)methylamine: a new coligand for Tc-99m labeling of hydrazinonicotinamide peptides. | Bioconjugate chemistry 20050101 |
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