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143810-44-0 | 7H-Thieno[3,2-g][1]benzothiopyran-7-one
CAS No: 143810-44-0 Catalog No: AG001IEO MDL No:
Product Description
Catalog Number:
AG001IEO
Chemical Name:
7H-Thieno[3,2-g][1]benzothiopyran-7-one
CAS Number:
143810-44-0
Molecular Formula:
C11H6OS2
Molecular Weight:
218.2947
IUPAC Name:
thieno[3,2-g]thiochromen-7-one
InChI:
InChI=1S/C11H6OS2/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChI Key:
KVWFIVFAOCOEGH-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(s1)cc1c(c2)ccs1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.288g/mol
Monoisotopic Mass:
217.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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