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Home > Thiazole > 1373028-76-2
1373028-76-2 | 2-(1-Phenyl-Ethyl)-2,3-Dihydro-Isothiazole 1,1-Dioxide
CAS No: 1373028-76-2 Catalog No: AG00HUUQ MDL No:MFCD21362386
Product Description
Catalog Number:
AG00HUUQ
Chemical Name:
2-(1-Phenyl-Ethyl)-2,3-Dihydro-Isothiazole 1,1-Dioxide
CAS Number:
1373028-76-2
Molecular Formula:
C11H13NO2S
Molecular Weight:
223.2914
MDL Number:
MFCD21362386
IUPAC Name:
2-(1-phenylethyl)-3H-1,2-thiazole 1,1-dioxide
InChI:
InChI=1S/C11H13NO2S/c1-10(11-6-3-2-4-7-11)12-8-5-9-15(12,13)14/h2-7,9-10H,8H2,1H3
InChI Key:
WRMQGYALQVAIKK-UHFFFAOYSA-N
SMILES:
CC(N1CC=CS1(=O)=O)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.29g/mol
Monoisotopic Mass:
223.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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