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2268-77-1 | 4-Methylbenzo[d]thiazole-2(3H)-thione
CAS No: 2268-77-1 Catalog No: AG006X11 MDL No:MFCD22003305
Product Description
Catalog Number:
AG006X11
Chemical Name:
4-Methylbenzo[d]thiazole-2(3H)-thione
CAS Number:
2268-77-1
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
MDL Number:
MFCD22003305
IUPAC Name:
4-methyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NS2/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
InChI Key:
JACGKHGTBZGVMW-UHFFFAOYSA-N
SMILES:
S=c1sc2c([nH]1)c(C)ccc2
NSC Number:
503426
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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