Home Other Building Blocks 1,3-dihydro-2,1,3-benzothiadiazole-2,2-dione

1,3-dihydro-2,1,3-benzothiadiazole-2,2-dione

CAS No.:
1615-06-1
Catalog Number:
AG019LHX
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
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Product Description
Catalog Number:
AG019LHX
Chemical Name:
1,3-dihydro-2,1,3-benzothiadiazole-2,2-dione
CAS Number:
1615-06-1
Molecular Formula:
C6H6N2O2S
Molecular Weight:
170.1890
MDL Number:
MFCD01860233
IUPAC Name:
1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
InChI:
InChI=1S/C6H6N2O2S/c9-11(10)7-5-3-1-2-4-6(5)8-11/h1-4,7-8H
InChI Key:
AUAGRMVWKUSEBX-UHFFFAOYSA-N
SMILES:
O=S1(=O)Nc2c(N1)cccc2
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.186g/mol
Monoisotopic Mass:
170.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties