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155853-28-4 | Phenol, 4-(2-methyl-1,3-dithian-2-yl)-
CAS No: 155853-28-4 Catalog No: AG001OAD MDL No:
Product Description
Catalog Number:
AG001OAD
Chemical Name:
Phenol, 4-(2-methyl-1,3-dithian-2-yl)-
CAS Number:
155853-28-4
Molecular Formula:
C11H14OS2
Molecular Weight:
226.3583
IUPAC Name:
4-(2-methyl-1,3-dithian-2-yl)phenol
InChI:
InChI=1S/C11H14OS2/c1-11(13-7-2-8-14-11)9-3-5-10(12)6-4-9/h3-6,12H,2,7-8H2,1H3
InChI Key:
HHCTXWWPKXCRMG-UHFFFAOYSA-N
SMILES:
CC1(SCCCS1)c1ccc(cc1)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.352g/mol
Monoisotopic Mass:
226.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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