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40888-01-5 | 2(3H)-Benzoxazolethione, 3-ethyl-
CAS No: 40888-01-5 Catalog No: AG00743B MDL No:
Product Description
Catalog Number:
AG00743B
Chemical Name:
2(3H)-Benzoxazolethione, 3-ethyl-
CAS Number:
40888-01-5
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
3-ethyl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C9H9NOS/c1-2-10-7-5-3-4-6-8(7)11-9(10)12/h3-6H,2H2,1H3
InChI Key:
ZYIQBSQJADGVTL-UHFFFAOYSA-N
SMILES:
CCn1c(=S)oc2c1cccc2
Properties
Complexity:
195
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:
1
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Design of benzimidazole- and benzoxazole-2-thione derivatives as inhibitors of bacterial hyaluronan lyase. | European journal of medicinal chemistry 20110901 |
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