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1261229-47-3 | 3-Piperidinol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS No: 1261229-47-3 Catalog No: AG000RNW MDL No:MFCD18380256
Product Description
Catalog Number:
AG000RNW
Chemical Name:
3-Piperidinol, 1-[6-chloro-2-(methylthio)-4-pyrimidinyl]-
CAS Number:
1261229-47-3
Molecular Formula:
C10H14ClN3OS
Molecular Weight:
259.7557
MDL Number:
MFCD18380256
IUPAC Name:
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-ol
InChI:
InChI=1S/C10H14ClN3OS/c1-16-10-12-8(11)5-9(13-10)14-4-2-3-7(15)6-14/h5,7,15H,2-4,6H2,1H3
InChI Key:
YSTGRMBJGPZWNB-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)Cl)N1CCCC(C1)O
Properties
Complexity:
234
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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