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94287-19-1 | 1,2-Thiazetidine, 2-ethyl-3-phenyl-, 1,1-dioxide
CAS No: 94287-19-1 Catalog No: AG00H8OG MDL No:
Product Description
Catalog Number:
AG00H8OG
Chemical Name:
1,2-Thiazetidine, 2-ethyl-3-phenyl-, 1,1-dioxide
CAS Number:
94287-19-1
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
2-ethyl-3-phenylthiazetidine 1,1-dioxide
InChI:
InChI=1S/C10H13NO2S/c1-2-11-10(8-14(11,12)13)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
OJAWDZBVJXZKEE-UHFFFAOYSA-N
SMILES:
CCN1C(CS1(=O)=O)c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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