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6957-85-3 | 1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione
CAS No: 6957-85-3 Catalog No: AG005WEO MDL No:MFCD01678348
Product Description
Catalog Number:
AG005WEO
Chemical Name:
1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione
CAS Number:
6957-85-3
Molecular Formula:
C8H5N3S2
Molecular Weight:
207.2754
MDL Number:
MFCD01678348
IUPAC Name:
2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-thione
InChI:
InChI=1S/C8H5N3S2/c12-7-9-10-8-11(7)5-3-1-2-4-6(5)13-8/h1-4H,(H,9,12)
InChI Key:
QTXZICUYCJDYLP-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc2n1c1ccccc1s2
NSC Number:
65299
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.269g/mol
Monoisotopic Mass:
206.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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