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774-34-5 | 2,6-dimethyl-4h-thiochromen-4-one
CAS No: 774-34-5 Catalog No: AG005LLU MDL No:
Product Description
Catalog Number:
AG005LLU
Chemical Name:
2,6-dimethyl-4h-thiochromen-4-one
CAS Number:
774-34-5
Molecular Formula:
C11H10OS
Molecular Weight:
190.2615
IUPAC Name:
2,6-dimethylthiochromen-4-one
InChI:
InChI=1S/C11H10OS/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-6H,1-2H3
InChI Key:
OXEMHEHSVZGMTH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)cc(s2)C
NSC Number:
108757
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.26g/mol
Monoisotopic Mass:
190.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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