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333992-22-6 | 2-(PIPERIDIN-4-YLTHIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS No: 333992-22-6 Catalog No: AG01ASCA MDL No:MFCD11559911
Product Description
Catalog Number:
AG01ASCA
Chemical Name:
2-(PIPERIDIN-4-YLTHIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS Number:
333992-22-6
Molecular Formula:
C12H15ClN2S2
Molecular Weight:
286.8439
MDL Number:
MFCD11559911
IUPAC Name:
2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C12H14N2S2.ClH/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChI Key:
QQZSWVKSVRYFDS-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Sc1nc2c(s1)cccc2.Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.836g/mol
Monoisotopic Mass:
286.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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