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6937-72-0 | 6h-anthra(9,1-cd)isothiazol-6-one, 3-methyl-
CAS No: 6937-72-0 Catalog No: AG006F8E MDL No:
Product Description
Catalog Number:
AG006F8E
Chemical Name:
6h-anthra(9,1-cd)isothiazol-6-one, 3-methyl-
CAS Number:
6937-72-0
Molecular Formula:
C15H9NOS
Molecular Weight:
251.3031
IUPAC Name:
12-methyl-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
InChI:
InChI=1S/C15H9NOS/c1-8-6-7-11-12-13(16-18-15(8)12)9-4-2-3-5-10(9)14(11)17/h2-7H,1H3
InChI Key:
OHUNLYWPXFRLJI-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2c2c3c1ccc(c3sn2)C
UNII:
JM4H5CKU2N
NSC Number:
39890
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.303g/mol
Monoisotopic Mass:
251.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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