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82-60-0 | Naphtho[2,1-b]thiophen-1(2H)-one
CAS No: 82-60-0 Catalog No: AG004XMV MDL No:
Product Description
Catalog Number:
AG004XMV
Chemical Name:
Naphtho[2,1-b]thiophen-1(2H)-one
CAS Number:
82-60-0
Molecular Formula:
C12H8OS
Molecular Weight:
200.2563
IUPAC Name:
benzo[e][1]benzothiol-1-one
InChI:
InChI=1S/C12H8OS/c13-10-7-14-11-6-5-8-3-1-2-4-9(8)12(10)11/h1-6H,7H2
InChI Key:
KLRNDFGOYWAXOU-UHFFFAOYSA-N
SMILES:
O=C1CSc2c1c1ccccc1cc2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.255g/mol
Monoisotopic Mass:
200.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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