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1261231-33-7 | 4-Piperidinol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS No: 1261231-33-7 Catalog No: AG000ROW MDL No:MFCD18380257
Product Description
Catalog Number:
AG000ROW
Chemical Name:
4-Piperidinol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS Number:
1261231-33-7
Molecular Formula:
C10H14ClN3OS
Molecular Weight:
259.7557
MDL Number:
MFCD18380257
IUPAC Name:
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-4-ol
InChI:
InChI=1S/C10H14ClN3OS/c1-16-10-12-8(11)6-9(13-10)14-4-2-7(15)3-5-14/h6-7,15H,2-5H2,1H3
InChI Key:
HRJGLPHLJLUIOG-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)Cl)N1CCC(CC1)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.752g/mol
Monoisotopic Mass:
259.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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