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158089-76-0 | Isothiazolidine, 2-[(4-methoxyphenyl)methyl]-, 1,1-dioxide
CAS No: 158089-76-0 Catalog No: AG001PZC MDL No:MFCD09972135
Product Description
Catalog Number:
AG001PZC
Chemical Name:
Isothiazolidine, 2-[(4-methoxyphenyl)methyl]-, 1,1-dioxide
CAS Number:
158089-76-0
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
MDL Number:
MFCD09972135
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-1,2-thiazolidine 1,1-dioxide
InChI:
InChI=1S/C11H15NO3S/c1-15-11-5-3-10(4-6-11)9-12-7-2-8-16(12,13)14/h3-6H,2,7-9H2,1H3
InChI Key:
YINIRYHLSTVCHU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCCS1(=O)=O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.305g/mol
Monoisotopic Mass:
241.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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