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Home > Quinoline > 936075-92-2
936075-92-2 | 1-{[(1,2-oxazol-3-yl)methyl]sulfanyl}isoquinoline
CAS No: 936075-92-2 Catalog No: AG01C3YM MDL No:MFCD10038449
Product Description
Catalog Number:
AG01C3YM
Chemical Name:
1-{[(1,2-oxazol-3-yl)methyl]sulfanyl}isoquinoline
CAS Number:
936075-92-2
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD10038449
IUPAC Name:
3-(isoquinolin-1-ylsulfanylmethyl)-1,2-oxazole
InChI:
InChI=1S/C13H10N2OS/c1-2-4-12-10(3-1)5-7-14-13(12)17-9-11-6-8-16-15-11/h1-8H,9H2
InChI Key:
LCSDESRCSGETMD-UHFFFAOYSA-N
SMILES:
c1onc(c1)CSc1nccc2c1cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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