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170900-87-5 | (2R,4R)-(+)-4,5-Dihydro-4-isopropyl-2-(p-tolyl)-1,2λ4,3-oxathiazole 2-oxide
CAS No: 170900-87-5 Catalog No: AG003BOH MDL No:
Product Description
Catalog Number:
AG003BOH
Chemical Name:
(2R,4R)-(+)-4,5-Dihydro-4-isopropyl-2-(p-tolyl)-1,2λ4,3-oxathiazole 2-oxide
CAS Number:
170900-87-5
IUPAC Name:
(2R,4R)-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+/m0/s1
InChI Key:
QCNBRUOJSNBOIE-BLLLJJGKSA-N
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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