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232263-28-4 | 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-ol
CAS No: 232263-28-4 Catalog No: AG00IT44 MDL No:MFCD09382882
Product Description
Catalog Number:
AG00IT44
Chemical Name:
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethan-1-ol
CAS Number:
232263-28-4
Molecular Formula:
C13H17N3OS
Molecular Weight:
263.3586
MDL Number:
MFCD09382882
IUPAC Name:
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C13H17N3OS/c17-10-9-15-5-7-16(8-6-15)13-14-11-3-1-2-4-12(11)18-13/h1-4,17H,5-10H2
InChI Key:
KQZHIBRCDRYHMT-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1nc2c(s1)cccc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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