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144982-33-2 | 2H-Pyran-2-one, 6-[(4S)-4-(1-methylethyl)-2-thioxo-3-thiazolidinyl]-
CAS No: 144982-33-2 Catalog No: AG006VFI MDL No:
Product Description
Catalog Number:
AG006VFI
Chemical Name:
2H-Pyran-2-one, 6-[(4S)-4-(1-methylethyl)-2-thioxo-3-thiazolidinyl]-
CAS Number:
144982-33-2
Molecular Formula:
C11H13NO2S2
Molecular Weight:
255.3564
IUPAC Name:
6-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pyran-2-one
InChI:
InChI=1S/C11H13NO2S2/c1-7(2)8-6-16-11(15)12(8)9-4-3-5-10(13)14-9/h3-5,7-8H,6H2,1-2H3/t8-/m1/s1
InChI Key:
MSDKBSPMJDECJP-MRVPVSSYSA-N
SMILES:
CC([C@H]1CSC(=S)N1c1cccc(=O)o1)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.35g/mol
Monoisotopic Mass:
255.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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