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Home > Pyridines > 2059939-48-7
2059939-48-7 | 1-[(3-methylpyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS No: 2059939-48-7 Catalog No: AG01BQYQ MDL No:MFCD30502122
Product Description
Catalog Number:
AG01BQYQ
Chemical Name:
1-[(3-methylpyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS Number:
2059939-48-7
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD30502122
IUPAC Name:
1-(3-methylpyridin-2-yl)iminothiolane 1-oxide
InChI:
InChI=1S/C10H14N2OS/c1-9-5-4-6-11-10(9)12-14(13)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3
InChI Key:
YFJWRBZOCDOLDW-UHFFFAOYSA-N
SMILES:
Cc1cccnc1N=S1(=O)CCCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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