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Home > Pyridines > 1303890-55-2
1303890-55-2 | tert-butyl N-[carbamothioyl(pyridin-3-yl)methyl]-N-ethylcarbamate
CAS No: 1303890-55-2 Catalog No: AG01AGPE MDL No:MFCD18089517
Product Description
Catalog Number:
AG01AGPE
Chemical Name:
tert-butyl N-[carbamothioyl(pyridin-3-yl)methyl]-N-ethylcarbamate
CAS Number:
1303890-55-2
Molecular Formula:
C14H21N3O2S
Molecular Weight:
295.4004
MDL Number:
MFCD18089517
IUPAC Name:
tert-butyl N-(2-amino-1-pyridin-3-yl-2-sulfanylideneethyl)-N-ethylcarbamate
InChI:
InChI=1S/C14H21N3O2S/c1-5-17(13(18)19-14(2,3)4)11(12(15)20)10-7-6-8-16-9-10/h6-9,11H,5H2,1-4H3,(H2,15,20)
InChI Key:
FNHCGXRECIRFHL-UHFFFAOYSA-N
SMILES:
CCN(C(c1cccnc1)C(=S)N)C(=O)OC(C)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.401g/mol
Monoisotopic Mass:
295.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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