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88358-61-6 | 1,4,2-Oxathiazole, 3-methyl-5-(2-phenylethyl)-
CAS No: 88358-61-6 Catalog No: AG004GBQ MDL No:
Product Description
Catalog Number:
AG004GBQ
Chemical Name:
1,4,2-Oxathiazole, 3-methyl-5-(2-phenylethyl)-
CAS Number:
88358-61-6
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
IUPAC Name:
3-methyl-5-(2-phenylethyl)-1,4,2-oxathiazole
InChI:
InChI=1S/C11H13NOS/c1-9-12-13-11(14-9)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChI Key:
BCVBYKGJSMTIPM-UHFFFAOYSA-N
SMILES:
CC1=NOC(S1)CCc1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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