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261736-83-8 | 1-Propanethione, 2,2-dimethyl-1-(4-phenoxyphenyl)-
CAS No: 261736-83-8 Catalog No: AG002S0F MDL No:
Product Description
Catalog Number:
AG002S0F
Chemical Name:
1-Propanethione, 2,2-dimethyl-1-(4-phenoxyphenyl)-
CAS Number:
261736-83-8
Molecular Formula:
C17H18OS
Molecular Weight:
270.3892
IUPAC Name:
2,2-dimethyl-1-(4-phenoxyphenyl)propane-1-thione
InChI:
InChI=1S/C17H18OS/c1-17(2,3)16(19)13-9-11-15(12-10-13)18-14-7-5-4-6-8-14/h4-12H,1-3H3
InChI Key:
VEDOHLILUOJFEY-UHFFFAOYSA-N
SMILES:
S=C(C(C)(C)C)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.39g/mol
Monoisotopic Mass:
270.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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