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Home > Pyridines > 139460-10-9
139460-10-9 | Carbamic acid, N-(4-mercapto-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 139460-10-9 Catalog No: AG001B2K MDL No:MFCD21648458
Product Description
Catalog Number:
AG001B2K
Chemical Name:
Carbamic acid, N-(4-mercapto-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
139460-10-9
Molecular Formula:
C10H14N2O2S
Molecular Weight:
226.2954
MDL Number:
MFCD21648458
IUPAC Name:
tert-butyl N-(4-sulfanylidene-1H-pyridin-3-yl)carbamate
InChI:
InChI=1S/C10H14N2O2S/c1-10(2,3)14-9(13)12-7-6-11-5-4-8(7)15/h4-6H,1-3H3,(H,11,15)(H,12,13)
InChI Key:
HESMDBDUEDHPRG-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnccc1S)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.294g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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