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23385-34-4 | 2-Propanone, 1-(2-benzothiazolylthio)-
CAS No: 23385-34-4 Catalog No: AG002N2M MDL No:MFCD00540010
Product Description
Catalog Number:
AG002N2M
Chemical Name:
2-Propanone, 1-(2-benzothiazolylthio)-
CAS Number:
23385-34-4
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
MDL Number:
MFCD00540010
IUPAC Name:
1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one
InChI:
InChI=1S/C10H9NOS2/c1-7(12)6-13-10-11-8-4-2-3-5-9(8)14-10/h2-5H,6H2,1H3
InChI Key:
YKOPAUBBWPNUKT-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1nc2c(s1)cccc2
NSC Number:
74267
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.308g/mol
Monoisotopic Mass:
223.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^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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