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10215-25-5 | 9H-Thioxanthene-3,6-diamine, 10,10-dioxide
CAS No: 10215-25-5 Catalog No: AG0006RH MDL No:MFCD00041841
Product Description
Catalog Number:
AG0006RH
Chemical Name:
9H-Thioxanthene-3,6-diamine, 10,10-dioxide
CAS Number:
10215-25-5
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
MDL Number:
MFCD00041841
IUPAC Name:
10,10-dioxo-9H-thioxanthene-3,6-diamine
InChI:
InChI=1S/C13H12N2O2S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)18(16,17)12(8)6-10/h1-4,6-7H,5,14-15H2
InChI Key:
UPVRZVIJGVFROW-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)S(=O)(=O)c1c(C2)ccc(c1)N
EC Number:
233-527-1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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