Home Other Building Blocks 3-[(2,4-difluorophenyl)sulfanyl]piperidine

3-[(2,4-difluorophenyl)sulfanyl]piperidine

CAS No.:
1251144-50-9
Catalog Number:
AG019YNI
Molecular Formula:
C11H13F2NS
Molecular Weight:
229.2894
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Product Description
Catalog Number:
AG019YNI
Chemical Name:
3-[(2,4-difluorophenyl)sulfanyl]piperidine
CAS Number:
1251144-50-9
Molecular Formula:
C11H13F2NS
Molecular Weight:
229.2894
MDL Number:
MFCD16076891
IUPAC Name:
3-(2,4-difluorophenyl)sulfanylpiperidine
InChI:
InChI=1S/C11H13F2NS/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChI Key:
JFLUUGBXSOSSKT-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)SC1CCCNC1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.289g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties