1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol

C24H20OS2 — CID 151731354

IUPAC1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Sc2ccccc2)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C24H20OS2/c1-17(25)23-14-13-22(26-20-9-3-2-4-10-20)16-24(23)27-21-12-11-18-7-5-6-8-19(18)15-21/h2-17,25H,1H3
InChIKeyRKPWOUFGYKPCEI-UHFFFAOYSA-N
MW388.56 g/mol
LogP7.20
Rot. Bonds5

About 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol

1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol (PubChem CID 151731354) has the molecular formula C24H20OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol
PubChem CID151731354
Molecular FormulaC24H20OS2
Molecular Weight388.56 g/mol
Exact Mass388.10
IUPAC Name1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Sc2ccccc2)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C24H20OS2/c1-17(25)23-14-13-22(26-20-9-3-2-4-10-20)16-24(23)27-21-12-11-18-7-5-6-8-19(18)15-21/h2-17,25H,1H3
InChIKeyRKPWOUFGYKPCEI-UHFFFAOYSA-N
XLogP7.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
1-[2,4-bis(phenylsulfanyl)phenyl]ethyl prop-2-enoate
CID 118070006
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250
1-[1-(2-methoxyethoxy)ethyl]-2,4-bis(phenylsulfanyl)benzene
CID 144842035
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
1-[4-bromo-2-(3-methylphenyl)sulfanylphenyl]ethanol
CID 82972642
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine
CID 63819331
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
(1S)-1-[2-bromo-4-(3-methylphenyl)sulfanylphenyl]ethanol
CID 114070081
2-naphthalen-2-ylsulfanylaniline
CID 43519144

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol?
The IUPAC name of 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol (CID 151731354) is 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol is CC(O)c1ccc(Sc2ccccc2)cc1Sc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol?
The InChIKey is RKPWOUFGYKPCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20OS2/c1-17(25)23-14-13-22(26-20-9-3-2-4-10-20)16-24(23)27-21-12-11-18-7-5-6-8-19(18)15-21/h2-17,25H,1H3.
What are the key properties of 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol?
1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol has a molecular weight of 388.56 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol is sourced from PubChem (CID 151731354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).