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6965-83-9 | Quinazoline, 2-[(2-benzothiazolylthio)methyl]-4-methyl-, 3-oxide
CAS No: 6965-83-9 Catalog No: AG00FV1J MDL No:
Product Description
Catalog Number:
AG00FV1J
Chemical Name:
Quinazoline, 2-[(2-benzothiazolylthio)methyl]-4-methyl-, 3-oxide
CAS Number:
6965-83-9
IUPAC Name:
2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C17H13N3OS2/c1-11-12-6-2-3-7-13(12)18-16(20(11)21)10-22-17-19-14-8-4-5-9-15(14)23-17/h2-9H,10H2,1H3
InChI Key:
IIVRSDOBYSDZIQ-UHFFFAOYSA-N
NSC Number:
64057
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.05g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.431g/mol
Monoisotopic Mass:
339.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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