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1211465-94-9 | 2-((PIPERIDIN-3-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS No: 1211465-94-9 Catalog No: AG01ASDN MDL No:MFCD15202343
Product Description
Catalog Number:
AG01ASDN
Chemical Name:
2-((PIPERIDIN-3-YLMETHYL)THIO)BENZO[D]THIAZOLE HYDROCHLORIDE
CAS Number:
1211465-94-9
Molecular Formula:
C13H17ClN2S2
Molecular Weight:
300.8705
MDL Number:
MFCD15202343
IUPAC Name:
2-(piperidin-3-ylmethylsulfanyl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C13H16N2S2.ClH/c1-2-6-12-11(5-1)15-13(17-12)16-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2;1H
InChI Key:
PGVPQFVIYUOGPO-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)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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