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Home > Thiazole > 1017184-36-9
1017184-36-9 | 2-(piperidin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS No: 1017184-36-9 Catalog No: AG01A16I MDL No:MFCD09891531
Product Description
Catalog Number:
AG01A16I
Chemical Name:
2-(piperidin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS Number:
1017184-36-9
Molecular Formula:
C12H18N2S
Molecular Weight:
222.3497
MDL Number:
MFCD09891531
IUPAC Name:
2-piperidin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
InChI:
InChI=1S/C12H18N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h9,13H,1-8H2
InChI Key:
YCLWGQNLLSBAOE-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1nc2c(s1)CCCC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.35g/mol
Monoisotopic Mass:
222.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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