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112994-65-7 | Thieno[3,2-d]isothiazol-3(2H)-one, 2,5-dimethyl-, 1,1-dioxide
CAS No: 112994-65-7 Catalog No: AG007RIC MDL No:
Product Description
Catalog Number:
AG007RIC
Chemical Name:
Thieno[3,2-d]isothiazol-3(2H)-one, 2,5-dimethyl-, 1,1-dioxide
CAS Number:
112994-65-7
Molecular Formula:
C7H7NO3S2
Molecular Weight:
217.2654
IUPAC Name:
2,5-dimethyl-1,1-dioxothieno[3,2-d][1,2]thiazol-3-one
InChI:
InChI=1S/C7H7NO3S2/c1-4-3-5-6(9)8(2)13(10,11)7(5)12-4/h3H,1-2H3
InChI Key:
BBHBXCFWLSTOIF-UHFFFAOYSA-N
SMILES:
Cc1cc2c(s1)S(=O)(=O)N(C2=O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.987g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.257g/mol
Monoisotopic Mass:
216.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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