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Home > Other Building Blocks > 76312-49-7
76312-49-7 | 1,3-Dithiolane, 2-(4-methoxyphenyl)-2-phenyl-
CAS No: 76312-49-7 Catalog No: AG005E6S MDL No:
Product Description
Catalog Number:
AG005E6S
Chemical Name:
1,3-Dithiolane, 2-(4-methoxyphenyl)-2-phenyl-
CAS Number:
76312-49-7
Molecular Formula:
C16H16OS2
Molecular Weight:
288.4276
IUPAC Name:
2-(4-methoxyphenyl)-2-phenyl-1,3-dithiolane
InChI:
InChI=1S/C16H16OS2/c1-17-15-9-7-14(8-10-15)16(18-11-12-19-16)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChI Key:
HUXQXMPPUJZOQV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(SCCS1)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.423g/mol
Monoisotopic Mass:
288.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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