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14627-86-2 | 2-Oxazolidinethione, 3-(phenylsulfonyl)-
CAS No: 14627-86-2 Catalog No: AG001DUE MDL No:
Product Description
Catalog Number:
AG001DUE
Chemical Name:
2-Oxazolidinethione, 3-(phenylsulfonyl)-
CAS Number:
14627-86-2
Molecular Formula:
C9H9NO3S2
Molecular Weight:
243.3027
IUPAC Name:
3-(benzenesulfonyl)-1,3-oxazolidine-2-thione
InChI:
InChI=1S/C9H9NO3S2/c11-15(12,8-4-2-1-3-5-8)10-6-7-13-9(10)14/h1-5H,6-7H2
InChI Key:
WMCABOCQNFKXIP-UHFFFAOYSA-N
SMILES:
S=C1OCCN1S(=O)(=O)c1ccccc1
NSC Number:
144060
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.295g/mol
Monoisotopic Mass:
243.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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