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1597705-58-2

1597705-58-2 | 4-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}piperidine

CAS No: 1597705-58-2 Catalog No: AG01ATV5 MDL No:MFCD29034787

Product Description

Catalog Number:
AG01ATV5
Chemical Name:
4-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}piperidine
CAS Number:
1597705-58-2
Molecular Formula:
C11H18N2S2
Molecular Weight:
242.4040
MDL Number:
MFCD29034787
IUPAC Name:
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)-1,3-thiazole
InChI:
InChI=1S/C11H18N2S2/c1-9-8-15-11(13-9)14-7-4-10-2-5-12-6-3-10/h8,10,12H,2-7H2,1H3
InChI Key:
PSZCSYHZFBOCPT-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)SCCC1CCNCC1

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.399g/mol
Monoisotopic Mass:
242.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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