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22956-26-9 | 1-Benzothiopyrylium, 4-methyl-2-phenyl-, perchlorate (1:1)
CAS No: 22956-26-9 Catalog No: AG002LO0 MDL No:
Product Description
Catalog Number:
AG002LO0
Chemical Name:
1-Benzothiopyrylium, 4-methyl-2-phenyl-, perchlorate (1:1)
CAS Number:
22956-26-9
Molecular Formula:
C16H15ClO4S
Molecular Weight:
338.8059
IUPAC Name:
4-methyl-2-phenyl-2H-thiochromen-1-ium;perchlorate
InChI:
InChI=1S/C16H14S.ClHO4/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;2-1(3,4)5/h2-11,16H,1H3;(H,2,3,4,5)
InChI Key:
GQZKMDOGEKDHBE-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CC1=CC([SH+]c2c1cccc2)c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.802g/mol
Monoisotopic Mass:
338.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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