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21224-20-4 | 2-Benzothiazolepentanoicacid
CAS No: 21224-20-4 Catalog No: AG006YKE MDL No:MFCD00449561
Product Description
Catalog Number:
AG006YKE
Chemical Name:
2-Benzothiazolepentanoicacid
CAS Number:
21224-20-4
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
MDL Number:
MFCD00449561
IUPAC Name:
5-(1,3-benzothiazol-2-yl)pentanoic acid
InChI:
InChI=1S/C12H13NO2S/c14-12(15)8-4-3-7-11-13-9-5-1-2-6-10(9)16-11/h1-2,5-6H,3-4,7-8H2,(H,14,15)
InChI Key:
HHBVTXVPGVQCOD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1nc2c(s1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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