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1211439-73-4

1211439-73-4 | 2-((PIPERIDIN-4-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE

CAS No: 1211439-73-4 Catalog No: AG01ASDQ MDL No:MFCD15202357

Product Description

Catalog Number:
AG01ASDQ
Chemical Name:
2-((PIPERIDIN-4-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS Number:
1211439-73-4
Molecular Formula:
C13H17ClN2S2
Molecular Weight:
300.8705
MDL Number:
MFCD15202357
IUPAC Name:
2-(piperidin-4-ylmethylsulfanyl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C13H16N2S2.ClH/c1-2-4-12-11(3-1)15-13(17-12)16-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChI Key:
AFDJRMJMNKCROX-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)CSc1nc2c(s1)cccc2.Cl

Properties

Complexity:
244  
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:
0
Undefined Bond Stereocenter Count:
0

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