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84965-40-2 | 1H-Thiopyrano[2',3':4,5]thiopyrano[3,2-c][2,1]benzothiazin-1-one,2,3,6,12-tetrahydro-6-methyl-, 5,5-dioxide
CAS No: 84965-40-2 Catalog No: AG004UK9 MDL No:
Product Description
Catalog Number:
AG004UK9
Chemical Name:
1H-Thiopyrano[2',3':4,5]thiopyrano[3,2-c][2,1]benzothiazin-1-one,2,3,6,12-tetrahydro-6-methyl-, 5,5-dioxide
CAS Number:
84965-40-2
Molecular Formula:
C15H13NO3S3
Molecular Weight:
351.4636
IUPAC Name:
17-methyl-18,18-dioxo-3,9,18λ6-trithia-17-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15-pentaen-6-one
InChI:
InChI=1S/C15H13NO3S3/c1-16-11-5-3-2-4-9(11)13-15(22(16,18)19)14-10(8-21-13)12(17)6-7-20-14/h2-5H,6-8H2,1H3
InChI Key:
KXYYMLPHKFRBIK-UHFFFAOYSA-N
SMILES:
O=C1CCSC2=C1CSC1=C2S(=O)(=O)N(c2c1cccc2)C
NSC Number:
373771
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.006g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.453g/mol
Monoisotopic Mass:
351.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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