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1000775-67-6 | Benzenemethanol, α,α'-thiobis(methylene)bis[2-chloro-
CAS No: 1000775-67-6 Catalog No: AG0000TK MDL No:
Product Description
Catalog Number:
AG0000TK
Chemical Name:
Benzenemethanol, α,α'-thiobis(methylene)bis[2-chloro-
CAS Number:
1000775-67-6
Molecular Formula:
C16H16Cl2O2S
Molecular Weight:
343.2680
IUPAC Name:
1-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-2-hydroxyethyl]sulfanylethanol
InChI:
InChI=1S/C16H16Cl2O2S/c17-13-7-3-1-5-11(13)15(19)9-21-10-16(20)12-6-2-4-8-14(12)18/h1-8,15-16,19-20H,9-10H2
InChI Key:
IASDAXGHDJZLSV-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1Cl)CSCC(c1ccccc1Cl)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.262g/mol
Monoisotopic Mass:
342.025g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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