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94287-21-5 | 1,2-Thiazetidine, 2-(1-methylethyl)-3-phenyl-, 1,1-dioxide
CAS No: 94287-21-5 Catalog No: AG005ZA3 MDL No:
Product Description
Catalog Number:
AG005ZA3
Chemical Name:
1,2-Thiazetidine, 2-(1-methylethyl)-3-phenyl-, 1,1-dioxide
CAS Number:
94287-21-5
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
3-phenyl-2-propan-2-ylthiazetidine 1,1-dioxide
InChI:
InChI=1S/C11H15NO2S/c1-9(2)12-11(8-15(12,13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI Key:
FJIDJNGJVBDYBS-UHFFFAOYSA-N
SMILES:
CC(N1C(CS1(=O)=O)c1ccccc1)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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