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862183-16-2 | 4-Pyridinethiol, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS No: 862183-16-2 Catalog No: AG004JTX MDL No:
Product Description
Catalog Number:
AG004JTX
Chemical Name:
4-Pyridinethiol, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS Number:
862183-16-2
Molecular Formula:
C17H23N3O2S
Molecular Weight:
333.4484
IUPAC Name:
2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1H-pyridine-4-thione
InChI:
InChI=1S/C17H23N3O2S/c1-9(2)14-7-21-16(19-14)12-5-11(23)6-13(18-12)17-20-15(8-22-17)10(3)4/h5-6,9-10,14-15H,7-8H2,1-4H3,(H,18,23)/t14-,15-/m1/s1
InChI Key:
HJCPBEJKLWHKRC-HUUCEWRRSA-N
SMILES:
CC([C@H]1COC(=N1)c1cc(S)cc(n1)C1=N[C@H](CO1)C(C)C)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
333.151g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.45g/mol
Monoisotopic Mass:
333.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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