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84965-39-9 | 6-METHYL-2,3-DIHYDROTHIOPYRANO[3,2-C][2,1]BENZOTHIAZIN-4(6H)-ONE 5,5-DIOXIDE
CAS No: 84965-39-9 Catalog No: AG004UKA MDL No:
Product Description
Catalog Number:
AG004UKA
Chemical Name:
6-METHYL-2,3-DIHYDROTHIOPYRANO[3,2-C][2,1]BENZOTHIAZIN-4(6H)-ONE 5,5-DIOXIDE
CAS Number:
84965-39-9
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
IUPAC Name:
6-methyl-5,5-dioxo-2,3-dihydrothiopyrano[3,2-c][2,1]benzothiazin-4-one
InChI:
InChI=1S/C12H11NO3S2/c1-13-9-5-3-2-4-8(9)11-12(18(13,15)16)10(14)6-7-17-11/h2-5H,6-7H2,1H3
InChI Key:
WENOIZBLQOPMRQ-UHFFFAOYSA-N
SMILES:
O=C1CCSC2=C1S(=O)(=O)N(c1c2cccc1)C
NSC Number:
373770
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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