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88882-29-5 | 2(3H)-Benzoxazolethione, 3,5-dimethyl-
CAS No: 88882-29-5 Catalog No: AG0049XN MDL No:
Product Description
Catalog Number:
AG0049XN
Chemical Name:
2(3H)-Benzoxazolethione, 3,5-dimethyl-
CAS Number:
88882-29-5
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
3,5-dimethyl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C9H9NOS/c1-6-3-4-8-7(5-6)10(2)9(12)11-8/h3-5H,1-2H3
InChI Key:
WJRBNMRCNVIWFB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)n(C)c(=S)o2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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