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237769-03-8 | 1,2,3-OXATHIAZOLIDINE, 3-(PHENYLMETHYL)-, 2-OXIDE
CAS No: 237769-03-8 Catalog No: AG006UKN MDL No:
Product Description
Catalog Number:
AG006UKN
Chemical Name:
1,2,3-OXATHIAZOLIDINE, 3-(PHENYLMETHYL)-, 2-OXIDE
CAS Number:
237769-03-8
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
3-benzyloxathiazolidine 2-oxide
InChI:
InChI=1S/C9H11NO2S/c11-13-10(6-7-12-13)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
TWJCQCCWSQNUSO-UHFFFAOYSA-N
SMILES:
O=S1OCCN1Cc1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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