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85870-89-9 | 4(1H)-Pyridinethione, 1-(2-aminoethyl)-2,6-dimethyl-
CAS No: 85870-89-9 Catalog No: AG004R3Z MDL No:
Product Description
Catalog Number:
AG004R3Z
Chemical Name:
4(1H)-Pyridinethione, 1-(2-aminoethyl)-2,6-dimethyl-
CAS Number:
85870-89-9
Molecular Formula:
C9H14N2S
Molecular Weight:
182.2859
IUPAC Name:
1-(2-aminoethyl)-2,6-dimethylpyridine-4-thione
InChI:
InChI=1S/C9H14N2S/c1-7-5-9(12)6-8(2)11(7)4-3-10/h5-6H,3-4,10H2,1-2H3
InChI Key:
FUXKKHRHPOTZNR-UHFFFAOYSA-N
SMILES:
NCCn1c(C)cc(=S)cc1C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.088g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.285g/mol
Monoisotopic Mass:
182.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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