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1261232-57-8 | 4-Piperidinemethanol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS No: 1261232-57-8 Catalog No: AG000ROP MDL No:MFCD18380263
Product Description
Catalog Number:
AG000ROP
Chemical Name:
4-Piperidinemethanol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS Number:
1261232-57-8
Molecular Formula:
C11H16ClN3OS
Molecular Weight:
273.7822
MDL Number:
MFCD18380263
IUPAC Name:
[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methanol
InChI:
InChI=1S/C11H16ClN3OS/c1-17-11-13-9(12)6-10(14-11)15-4-2-8(7-16)3-5-15/h6,8,16H,2-5,7H2,1H3
InChI Key:
YLJOKFMNTMKPRJ-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1cc(Cl)nc(n1)SC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.779g/mol
Monoisotopic Mass:
273.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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