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918287-55-5 | 2-Hexen-1-one, 1-[(4S)-4-(1-methylethyl)-2-thioxo-3-oxazolidinyl]-, (2E)-
CAS No: 918287-55-5 Catalog No: AG0068V4 MDL No:
Product Description
Catalog Number:
AG0068V4
Chemical Name:
2-Hexen-1-one, 1-[(4S)-4-(1-methylethyl)-2-thioxo-3-oxazolidinyl]-, (2E)-
CAS Number:
918287-55-5
Molecular Formula:
C12H19NO2S
Molecular Weight:
241.3498
IUPAC Name:
1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl]hex-2-en-1-one
InChI:
InChI=1S/C12H19NO2S/c1-4-5-6-7-11(14)13-10(9(2)3)8-15-12(13)16/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m1/s1
InChI Key:
XTTOAWXRERHQLU-SNVBAGLBSA-N
SMILES:
CCC/C=C/C(=O)N1C(=S)OC[C@@H]1C(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
241.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.349g/mol
Monoisotopic Mass:
241.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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