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145679-46-5 | 2λ4-1,2,3-Oxathiazole, 4,5-dihydro-4-(1-methylethyl)-2-(4-methylphenyl)-, 2-oxide, (2S,4S)- (9CI)
CAS No: 145679-46-5 Catalog No: AG001DAI MDL No:
Product Description
Catalog Number:
AG001DAI
Chemical Name:
2λ4-1,2,3-Oxathiazole, 4,5-dihydro-4-(1-methylethyl)-2-(4-methylphenyl)-, 2-oxide, (2S,4S)- (9CI)
CAS Number:
145679-46-5
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
IUPAC Name:
(2S,4S)-2-(4-methylphenyl)-4-propan-2-yl-1-oxa-2λ6-thia-3-azacyclopent-2-ene 2-oxide
InChI:
InChI=1S/C12H17NO2S/c1-9(2)12-8-15-16(14,13-12)11-6-4-10(3)5-7-11/h4-7,9,12H,8H2,1-3H3/t12-,16+/m1/s1
InChI Key:
QCNBRUOJSNBOIE-WBMJQRKESA-N
SMILES:
CC([C@H]1CO[S@@](=N1)(=O)c1ccc(cc1)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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