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

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

CAS No.:
1342123-07-2
Catalog Number:
AG019U42
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
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Product Description
Catalog Number:
AG019U42
Chemical Name:
3-(1,3-benzothiazol-2-yl)butan-2-ol
CAS Number:
1342123-07-2
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD18290454
IUPAC Name:
3-(1,3-benzothiazol-2-yl)butan-2-ol
InChI:
InChI=1S/C11H13NOS/c1-7(8(2)13)11-12-9-5-3-4-6-10(9)14-11/h3-8,13H,1-2H3
InChI Key:
IPIQXWOAAIBYKG-UHFFFAOYSA-N
SMILES:
CC(C(c1nc2c(s1)cccc2)C)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties