1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol

C15H14Cl2OS2 — CID 66143233

IUPAC1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)CSc1ccccc1Cl
InChIInChI=1S/C15H14Cl2OS2/c16-11-5-7-13(8-6-11)19-9-12(18)10-20-15-4-2-1-3-14(15)17/h1-8,12,18H,9-10H2
InChIKeyFRJWRORRHCDLLG-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.24
Rot. Bonds6

About 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol

1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol (PubChem CID 66143233) has the molecular formula C15H14Cl2OS2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
PubChem CID66143233
Molecular FormulaC15H14Cl2OS2
Molecular Weight345.32 g/mol
Exact Mass343.99
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
SMILESOC(CSc1ccc(Cl)cc1)CSc1ccccc1Cl
InChIInChI=1S/C15H14Cl2OS2/c16-11-5-7-13(8-6-11)19-9-12(18)10-20-15-4-2-1-3-14(15)17/h1-8,12,18H,9-10H2
InChIKeyFRJWRORRHCDLLG-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol (CID 66143233) is 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol is OC(CSc1ccc(Cl)cc1)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol?
The InChIKey is FRJWRORRHCDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2OS2/c16-11-5-7-13(8-6-11)19-9-12(18)10-20-15-4-2-1-3-14(15)17/h1-8,12,18H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol has a molecular weight of 345.32 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66143233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).