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854497-49-7 | (S)-2-methyl-N-[(1E)-(pyridin-3-yl)methylidene]propane-2-sulfinamide
CAS No: 854497-49-7 Catalog No: AG00ITO8 MDL No:MFCD18781437
Product Description
Catalog Number:
AG00ITO8
Chemical Name:
(S)-2-methyl-N-[(1E)-(pyridin-3-yl)methylidene]propane-2-sulfinamide
CAS Number:
854497-49-7
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD18781437
IUPAC Name:
(S)-2-methyl-N-(pyridin-3-ylmethylidene)propane-2-sulfinamide
InChI:
InChI=1S/C10H14N2OS/c1-10(2,3)14(13)12-8-9-5-4-6-11-7-9/h4-8H,1-3H3/t14-/m0/s1
InChI Key:
BMQNAHRVOYMEED-AWEZNQCLSA-N
SMILES:
O=[S@@](C(C)(C)C)/N=C/c1cccnc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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