(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol

C24H22O2S2 — CID 101186685

IUPAC(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
SMILESO[C@@H](CSc1ccc2ccccc2c1)[C@@H](O)CSc1ccc2ccccc2c1
InChIInChI=1S/C24H22O2S2/c25-23(15-27-21-11-9-17-5-1-3-7-19(17)13-21)24(26)16-28-22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-26H,15-16H2/t23-,24-/m0/s1
InChIKeyACNVWOMQTATHHE-ZEQRLZLVSA-N
MW406.57 g/mol
LogP5.60
Rot. Bonds7

About (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol

(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol (PubChem CID 101186685) has the molecular formula C24H22O2S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
PubChem CID101186685
Molecular FormulaC24H22O2S2
Molecular Weight406.57 g/mol
Exact Mass406.11
IUPAC Name(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
SMILESO[C@@H](CSc1ccc2ccccc2c1)[C@@H](O)CSc1ccc2ccccc2c1
InChIInChI=1S/C24H22O2S2/c25-23(15-27-21-11-9-17-5-1-3-7-19(17)13-21)24(26)16-28-22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-26H,15-16H2/t23-,24-/m0/s1
InChIKeyACNVWOMQTATHHE-ZEQRLZLVSA-N
XLogP5.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
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
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylsulfanylpropanoic acid
CID 54317940
2-(methoxymethylsulfanyl)naphthalene
CID 54008940

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol?
The IUPAC name of (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol (CID 101186685) is (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol.
What is the SMILES notation for (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol?
The canonical SMILES for (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol is O[C@@H](CSc1ccc2ccccc2c1)[C@@H](O)CSc1ccc2ccccc2c1.
What is the InChIKey of (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol?
The InChIKey is ACNVWOMQTATHHE-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H22O2S2/c25-23(15-27-21-11-9-17-5-1-3-7-19(17)13-21)24(26)16-28-22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-26H,15-16H2/t23-,24-/m0/s1.
What are the key properties of (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol?
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol has a molecular weight of 406.57 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol is sourced from PubChem (CID 101186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).