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251303-47-6 | Phenol, 4-(2,3-dimethylnaphtho[2,3-b]thien-4-yl)-2-ethyl-
CAS No: 251303-47-6 Catalog No: AG002QL5 MDL No:
Product Description
Catalog Number:
AG002QL5
Chemical Name:
Phenol, 4-(2,3-dimethylnaphtho[2,3-b]thien-4-yl)-2-ethyl-
CAS Number:
251303-47-6
Molecular Formula:
C22H20OS
Molecular Weight:
332.4586
IUPAC Name:
4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-ethylphenol
InChI:
InChI=1S/C22H20OS/c1-4-15-11-17(9-10-19(15)23)22-18-8-6-5-7-16(18)12-20-21(22)13(2)14(3)24-20/h5-12,23H,4H2,1-3H3
InChI Key:
NZZQWEGRIAMKQD-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1O)c1c2ccccc2cc2c1c(C)c(s2)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.461g/mol
Monoisotopic Mass:
332.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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