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6295-57-4 | 2-(Benzo[d]thiazol-2-ylthio)acetic acid
CAS No: 6295-57-4 Catalog No: AG003BLP MDL No:MFCD00227391
Product Description
Catalog Number:
AG003BLP
Chemical Name:
2-(Benzo[d]thiazol-2-ylthio)acetic acid
CAS Number:
6295-57-4
Molecular Formula:
C9H7NO2S2
Molecular Weight:
225.2874
MDL Number:
MFCD00227391
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
InChI:
InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChI Key:
ZZUQWNYNSKJLPI-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nc2c(s1)cccc2
EC Number:
228-565-0
UNII:
9H400WTE52
NSC Number:
11891
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.28g/mol
Monoisotopic Mass:
224.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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