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71605-70-4 | 2,1,3-Benzothiadiazole,5-(2-thiazolidinyl)-
CAS No: 71605-70-4 Catalog No: AG0064T3 MDL No:
Product Description
Catalog Number:
AG0064T3
Chemical Name:
2,1,3-Benzothiadiazole,5-(2-thiazolidinyl)-
CAS Number:
71605-70-4
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
IUPAC Name:
5-(1,3-thiazolidin-2-yl)-2,1,3-benzothiadiazole
InChI:
InChI=1S/C9H9N3S2/c1-2-7-8(12-14-11-7)5-6(1)9-10-3-4-13-9/h1-2,5,9-10H,3-4H2
InChI Key:
NPNCNJNTFYNOIL-UHFFFAOYSA-N
SMILES:
C1CSC(N1)c1ccc2c(c1)nsn2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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