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16446-10-9 | 2(3H)-Benzoxazolethione, 3-[(2-methyl-1-piperidinyl)methyl]-
CAS No: 16446-10-9 Catalog No: AG001UWL MDL No:
Product Description
Catalog Number:
AG001UWL
Chemical Name:
2(3H)-Benzoxazolethione, 3-[(2-methyl-1-piperidinyl)methyl]-
CAS Number:
16446-10-9
Molecular Formula:
C14H18N2OS
Molecular Weight:
262.3705
IUPAC Name:
3-[(2-methylpiperidin-1-yl)methyl]-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C14H18N2OS/c1-11-6-4-5-9-15(11)10-16-12-7-2-3-8-13(12)17-14(16)18/h2-3,7-8,11H,4-6,9-10H2,1H3
InChI Key:
GOCPPEIMSNYTNU-UHFFFAOYSA-N
SMILES:
CC1CCCCN1Cn1c(=S)oc2c1cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.371g/mol
Monoisotopic Mass:
262.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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