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84965-50-4 | 1,5-DIMETHYL-5,11-DIHYDROISOXAZOLO[5',4':4,5]THIOPYRANO[3,2-C][2,1]BENZOTHIAZINE 4,4-DIOXIDE
CAS No: 84965-50-4 Catalog No: AG0052EW MDL No:
Product Description
Catalog Number:
AG0052EW
Chemical Name:
1,5-DIMETHYL-5,11-DIHYDROISOXAZOLO[5',4':4,5]THIOPYRANO[3,2-C][2,1]BENZOTHIAZINE 4,4-DIOXIDE
CAS Number:
84965-50-4
Molecular Formula:
C14H12N2O3S2
Molecular Weight:
320.3867
IUPAC Name:
8,14-dimethyl-12-oxa-9λ6,17-dithia-8,13-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11(15),13-hexaene 9,9-dioxide
InChI:
InChI=1S/C14H12N2O3S2/c1-8-10-7-20-13-9-5-3-4-6-11(9)16(2)21(17,18)14(13)12(10)19-15-8/h3-6H,7H2,1-2H3
InChI Key:
UKDKVFGZBAFNRM-UHFFFAOYSA-N
SMILES:
Cc1noc2c1CSC1=C2S(=O)(=O)N(c2c1cccc2)C
NSC Number:
373772
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.381g/mol
Monoisotopic Mass:
320.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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