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Home > Indoles and Oxindole > 138962-17-1
138962-17-1 | 2H-1,3-Oxazino[6,5-b]indolizine-2,4(3H)-dithione, 3-methyl-
CAS No: 138962-17-1 Catalog No: AG0019XE MDL No:
Product Description
Catalog Number:
AG0019XE
Chemical Name:
2H-1,3-Oxazino[6,5-b]indolizine-2,4(3H)-dithione, 3-methyl-
CAS Number:
138962-17-1
Molecular Formula:
C11H8N2OS2
Molecular Weight:
248.3240
IUPAC Name:
3-methyl-[1,3]oxazino[6,5-b]indolizine-2,4-dithione
InChI:
InChI=1S/C11H8N2OS2/c1-12-10(15)9-8(14-11(12)16)6-7-4-2-3-5-13(7)9/h2-6H,1H3
InChI Key:
KMIWHBCGGJZPMW-UHFFFAOYSA-N
SMILES:
S=c1oc2cc3n(c2c(=S)n1C)cccc3
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.318g/mol
Monoisotopic Mass:
248.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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