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1824-58-4 | ethiazide
CAS No: 1824-58-4 Catalog No: AG00ASMD MDL No:MFCD00867314
Product Description
Catalog Number:
AG00ASMD
Chemical Name:
ethiazide
CAS Number:
1824-58-4
Molecular Formula:
C9H12ClN3O4S2
Molecular Weight:
325.7923
MDL Number:
MFCD00867314
IUPAC Name:
6-chloro-3-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI:
InChI=1S/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)
InChI Key:
VXLCNTLWWUDBSO-UHFFFAOYSA-N
SMILES:
CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N
EC Number:
217-358-0
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.782g/mol
Monoisotopic Mass:
324.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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