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Home > Pyridines > 1423027-08-0
1423027-08-0 | 6-(tert-butylsulfanyl)pyridine-3-carbothioamide
CAS No: 1423027-08-0 Catalog No: AG01A21L MDL No:MFCD22566013
Product Description
Catalog Number:
AG01A21L
Chemical Name:
6-(tert-butylsulfanyl)pyridine-3-carbothioamide
CAS Number:
1423027-08-0
Molecular Formula:
C10H14N2S2
Molecular Weight:
226.3616
MDL Number:
MFCD22566013
IUPAC Name:
6-tert-butylsulfanylpyridine-3-carbothioamide
InChI:
InChI=1S/C10H14N2S2/c1-10(2,3)14-8-5-4-7(6-12-8)9(11)13/h4-6H,1-3H3,(H2,11,13)
InChI Key:
OSBQNTBWBYOGPF-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(nc1)SC(C)(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.356g/mol
Monoisotopic Mass:
226.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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