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76456-07-0 | ethyl(imino)(pyridin-2-yl)-lambda6-sulfanone
CAS No: 76456-07-0 Catalog No: AG01B72A MDL No:MFCD30345064
Product Description
Catalog Number:
AG01B72A
Chemical Name:
ethyl(imino)(pyridin-2-yl)-lambda6-sulfanone
CAS Number:
76456-07-0
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD30345064
IUPAC Name:
ethyl-imino-oxo-pyridin-2-yl-λ6-sulfane
InChI:
InChI=1S/C7H10N2OS/c1-2-11(8,10)7-5-3-4-6-9-7/h3-6,8H,2H2,1H3
InChI Key:
ULEXWENYEIDYDU-UHFFFAOYSA-N
SMILES:
CCS(=O)(=N)c1ccccn1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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