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Home > Sulfanilamide > 99845-39-3
99845-39-3 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-isothiocyanatobenzenesulfonamide
CAS No: 99845-39-3 Catalog No: AG00JD0C MDL No:MFCD16618483
Product Description
Catalog Number:
AG00JD0C
Chemical Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-isothiocyanatobenzenesulfonamide
CAS Number:
99845-39-3
Molecular Formula:
C11H10N4O2S3
Molecular Weight:
326.4177
MDL Number:
MFCD16618483
IUPAC Name:
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-isothiocyanatobenzenesulfonamide
InChI:
InChI=1S/C11H10N4O2S3/c1-2-10-13-14-11(19-10)15-20(16,17)9-5-3-8(4-6-9)12-7-18/h3-6H,2H2,1H3,(H,14,15)
InChI Key:
FQXOHWUHHKQIOG-UHFFFAOYSA-N
SMILES:
CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)N=C=S
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.407g/mol
Monoisotopic Mass:
325.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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