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22977-70-4 | Quinoline, 4-methyl-2-(2-propen-1-ylthio)-
CAS No: 22977-70-4 Catalog No: AG002LRF MDL No:
Product Description
Catalog Number:
AG002LRF
Chemical Name:
Quinoline, 4-methyl-2-(2-propen-1-ylthio)-
CAS Number:
22977-70-4
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
4-methyl-2-prop-2-enylsulfanylquinoline
InChI:
InChI=1S/C13H13NS/c1-3-8-15-13-9-10(2)11-6-4-5-7-12(11)14-13/h3-7,9H,1,8H2,2H3
InChI Key:
PSQOTEVWYJSBNG-UHFFFAOYSA-N
SMILES:
C=CCSc1cc(C)c2c(n1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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