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91640-16-3 | 2-Benzothiazolepentanol
CAS No: 91640-16-3 Catalog No: AG006RJT MDL No:
Product Description
Catalog Number:
AG006RJT
Chemical Name:
2-Benzothiazolepentanol
CAS Number:
91640-16-3
Molecular Formula:
C12H15NOS
Molecular Weight:
221.3186
IUPAC Name:
5-(1,3-benzothiazol-2-yl)pentan-1-ol
InChI:
InChI=1S/C12H15NOS/c14-9-5-1-2-8-12-13-10-6-3-4-7-11(10)15-12/h3-4,6-7,14H,1-2,5,8-9H2
InChI Key:
DSEWWHZFOSULRI-UHFFFAOYSA-N
SMILES:
OCCCCCc1nc2c(s1)cccc2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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