5-chloro-2-(4-chlorophenyl)sulfanylphenol

C12H8Cl2OS — CID 21430256

IUPAC5-chloro-2-(4-chlorophenyl)sulfanylphenol
SMILESOc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2OS/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H
InChIKeyKHMIYBLOYXKKRS-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.85
Rot. Bonds2

About 5-chloro-2-(4-chlorophenyl)sulfanylphenol

5-chloro-2-(4-chlorophenyl)sulfanylphenol (PubChem CID 21430256) has the molecular formula C12H8Cl2OS and a molecular weight of 271.17 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)sulfanylphenol.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)sulfanylphenol
PubChem CID21430256
Molecular FormulaC12H8Cl2OS
Molecular Weight271.17 g/mol
Exact Mass269.97
IUPAC Name5-chloro-2-(4-chlorophenyl)sulfanylphenol
SMILESOc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2OS/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H
InChIKeyKHMIYBLOYXKKRS-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
CID 12957639
4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
CID 91876660
1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
1,4-bis[(4-chlorophenyl)sulfanyl]-5-hydroxyanthracene-9,10-dione
CID 70349400
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
3-chloro-4-(4-chlorophenyl)sulfanylbenzonitrile
CID 63538752
5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
CID 91877020
1-[3-amino-4-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 82177453

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)sulfanylphenol?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)sulfanylphenol (CID 21430256) is 5-chloro-2-(4-chlorophenyl)sulfanylphenol.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)sulfanylphenol?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)sulfanylphenol is Oc1cc(Cl)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)sulfanylphenol?
The InChIKey is KHMIYBLOYXKKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2OS/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H.
What are the key properties of 5-chloro-2-(4-chlorophenyl)sulfanylphenol?
5-chloro-2-(4-chlorophenyl)sulfanylphenol has a molecular weight of 271.17 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)sulfanylphenol is sourced from PubChem (CID 21430256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).