1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol

C23H20OS2 — CID 70684265

IUPAC1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
SMILESOC(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1
InChIInChI=1S/C23H20OS2/c24-21(15-25-22-11-9-17-5-1-3-7-19(17)13-22)16-26-23-12-10-18-6-2-4-8-20(18)14-23/h1-14,21,24H,15-16H2
InChIKeyQWTWBMRYTDIFDV-UHFFFAOYSA-N
MW376.55 g/mol
LogP6.24
Rot. Bonds6

About 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol

1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol (PubChem CID 70684265) has the molecular formula C23H20OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
PubChem CID70684265
Molecular FormulaC23H20OS2
Molecular Weight376.55 g/mol
Exact Mass376.10
IUPAC Name1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
SMILESOC(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1
InChIInChI=1S/C23H20OS2/c24-21(15-25-22-11-9-17-5-1-3-7-19(17)13-22)16-26-23-12-10-18-6-2-4-8-20(18)14-23/h1-14,21,24H,15-16H2
InChIKeyQWTWBMRYTDIFDV-UHFFFAOYSA-N
XLogP6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
2-amino-3-naphthalen-2-ylsulfanylpropan-1-ol
CID 64807456
1-(2-aminophenyl)-2-naphthalen-2-ylsulfanylethanol
CID 62268114
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
(3S)-4-naphthalen-2-ylsulfanyl-3-phenylbutanoic acid
CID 124637826
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 67718397
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol (CID 70684265) is 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol is OC(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1.
What is the InChIKey of 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol?
The InChIKey is QWTWBMRYTDIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20OS2/c24-21(15-25-22-11-9-17-5-1-3-7-19(17)13-22)16-26-23-12-10-18-6-2-4-8-20(18)14-23/h1-14,21,24H,15-16H2.
What are the key properties of 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol?
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol has a molecular weight of 376.55 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 70684265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).