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1420964-81-3 | 2-((PIPERIDIN-2-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS No: 1420964-81-3 Catalog No: AG01ASD9 MDL No:MFCD24381573
Product Description
Catalog Number:
AG01ASD9
Chemical Name:
2-((PIPERIDIN-2-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS Number:
1420964-81-3
Molecular Formula:
C13H17ClN2S2
Molecular Weight:
300.8705
MDL Number:
MFCD24381573
IUPAC Name:
2-(piperidin-2-ylmethylsulfanyl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C13H16N2S2.ClH/c1-2-7-12-11(6-1)15-13(17-12)16-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2;1H
InChI Key:
MOVZCOYXAOLEHT-UHFFFAOYSA-N
SMILES:
C1CCC(NC1)CSc1nc2c(s1)cccc2.Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.863g/mol
Monoisotopic Mass:
300.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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