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126808-33-1 | Quinoxaline, 2-methyl-3-(pentylthio)-
CAS No: 126808-33-1 Catalog No: AG000T93 MDL No:
Product Description
Catalog Number:
AG000T93
Chemical Name:
Quinoxaline, 2-methyl-3-(pentylthio)-
CAS Number:
126808-33-1
Molecular Formula:
C14H18N2S
Molecular Weight:
246.3711
IUPAC Name:
2-methyl-3-pentylsulfanylquinoxaline
InChI:
InChI=1S/C14H18N2S/c1-3-4-7-10-17-14-11(2)15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10H2,1-2H3
InChI Key:
NPPMRPFZGZORJR-UHFFFAOYSA-N
SMILES:
CCCCCSc1nc2ccccc2nc1C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.372g/mol
Monoisotopic Mass:
246.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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