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Home > Thiazole > 1018566-85-2
1018566-85-2 | 6-Ethyl-2-piperazin-1-yl-1,3-benzothiazole
CAS No: 1018566-85-2 Catalog No: AG01ARFE MDL No:MFCD10008525
Product Description
Catalog Number:
AG01ARFE
Chemical Name:
6-Ethyl-2-piperazin-1-yl-1,3-benzothiazole
CAS Number:
1018566-85-2
Molecular Formula:
C13H17N3S
Molecular Weight:
247.3592
MDL Number:
MFCD10008525
IUPAC Name:
6-ethyl-2-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C13H17N3S/c1-2-10-3-4-11-12(9-10)17-13(15-11)16-7-5-14-6-8-16/h3-4,9,14H,2,5-8H2,1H3
InChI Key:
QHNURWMMESXAQD-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)sc(n2)N1CCNCC1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.36g/mol
Monoisotopic Mass:
247.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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