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Home > Thiazole > 1864073-83-5
1864073-83-5 | 2-([2-(PIPERIDIN-4-YL)ETHYL]SULFANYL)-1,3-BENZOTHIAZOLE HYDROCHLORIDE
CAS No: 1864073-83-5 Catalog No: AG01AT9J MDL No:MFCD26793296
Product Description
Catalog Number:
AG01AT9J
Chemical Name:
2-([2-(PIPERIDIN-4-YL)ETHYL]SULFANYL)-1,3-BENZOTHIAZOLE HYDROCHLORIDE
CAS Number:
1864073-83-5
Molecular Formula:
C14H19ClN2S2
Molecular Weight:
314.8971
MDL Number:
MFCD26793296
IUPAC Name:
2-(2-piperidin-4-ylethylsulfanyl)-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C14H18N2S2.ClH/c1-2-4-13-12(3-1)16-14(18-13)17-10-7-11-5-8-15-9-6-11;/h1-4,11,15H,5-10H2;1H
InChI Key:
XABWVVTWZCRVFJ-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)CCSc1nc2c(s1)cccc2.Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.89g/mol
Monoisotopic Mass:
314.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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