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Home > Thiazole > 1279123-46-4
1279123-46-4 | 2-Cyclobutyl-1,3-benzothiazole
CAS No: 1279123-46-4 Catalog No: AG00HRQF MDL No:MFCD19103377
Product Description
Catalog Number:
AG00HRQF
Chemical Name:
2-Cyclobutyl-1,3-benzothiazole
CAS Number:
1279123-46-4
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
MDL Number:
MFCD19103377
IUPAC Name:
2-cyclobutyl-1,3-benzothiazole
InChI:
InChI=1S/C11H11NS/c1-2-7-10-9(6-1)12-11(13-10)8-4-3-5-8/h1-2,6-8H,3-5H2
InChI Key:
SDVSGZYYDRMSJJ-UHFFFAOYSA-N
SMILES:
C1CC(C1)c1nc2c(s1)cccc2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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