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51785-16-1 | 2-(3-piperidinyl)-1,3-benzothiazole hydrochloride
CAS No: 51785-16-1 Catalog No: AG00J10L MDL No:MFCD08447141
Product Description
Catalog Number:
AG00J10L
Chemical Name:
2-(3-piperidinyl)-1,3-benzothiazole hydrochloride
CAS Number:
51785-16-1
Molecular Formula:
C12H15ClN2S
Molecular Weight:
254.7789
MDL Number:
MFCD08447141
IUPAC Name:
2-piperidin-3-yl-1,3-benzothiazole;hydrochloride
InChI:
InChI=1S/C12H14N2S.ClH/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChI Key:
MUTMKQFNAWJANU-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1nc2c(s1)cccc2.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.776g/mol
Monoisotopic Mass:
254.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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