Home Other Building Blocks 2-(1,2-benzothiazol-3-yl)ethan-1-ol

2-(1,2-benzothiazol-3-yl)ethan-1-ol

CAS No.:
259110-30-0
Catalog Number:
AG01C6KM
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
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Product Description
Catalog Number:
AG01C6KM
Chemical Name:
2-(1,2-benzothiazol-3-yl)ethan-1-ol
CAS Number:
259110-30-0
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD26710133
IUPAC Name:
2-(1,2-benzothiazol-3-yl)ethanol
InChI:
InChI=1S/C9H9NOS/c11-6-5-8-7-3-1-2-4-9(7)12-10-8/h1-4,11H,5-6H2
InChI Key:
PARSHSQJFSFMNJ-UHFFFAOYSA-N
SMILES:
OCCc1nsc2c1cccc2
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties