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113168-30-2 | Naphtho[2,3-d]thiazole-4,9-dione, 2-(ethylthio)-
CAS No: 113168-30-2 Catalog No: AG0082CF MDL No:
Product Description
Catalog Number:
AG0082CF
Chemical Name:
Naphtho[2,3-d]thiazole-4,9-dione, 2-(ethylthio)-
CAS Number:
113168-30-2
Molecular Formula:
C13H9NO2S2
Molecular Weight:
275.3461
IUPAC Name:
2-ethylsulfanylbenzo[f][1,3]benzothiazole-4,9-dione
InChI:
InChI=1S/C13H9NO2S2/c1-2-17-13-14-9-10(15)7-5-3-4-6-8(7)11(16)12(9)18-13/h3-6H,2H2,1H3
InChI Key:
KWXVBZCYHWJPRH-UHFFFAOYSA-N
SMILES:
CCSc1nc2c(s1)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.34g/mol
Monoisotopic Mass:
275.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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