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1059697-82-3 | (1S)-1-(1,3-benzothiazol-2-yl)ethan-1-ol
CAS No: 1059697-82-3 Catalog No: AG01AHS1 MDL No:MFCD18339637
Product Description
Catalog Number:
AG01AHS1
Chemical Name:
(1S)-1-(1,3-benzothiazol-2-yl)ethan-1-ol
CAS Number:
1059697-82-3
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD18339637
IUPAC Name:
(1S)-1-(1,3-benzothiazol-2-yl)ethanol
InChI:
InChI=1S/C9H9NOS/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-6,11H,1H3/t6-/m0/s1
InChI Key:
AVXZTUFERFFNCR-LURJTMIESA-N
SMILES:
C[C@@H](c1nc2c(s1)cccc2)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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