2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane

C26H22O2S — CID 23049620

IUPAC2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane
SMILESc1ccc2c(C(SC(c3cccc4ccccc34)C3CO3)C3CO3)cccc2c1
InChIInChI=1S/C26H22O2S/c1-3-11-19-17(7-1)9-5-13-21(19)25(23-15-27-23)29-26(24-16-28-24)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-26H,15-16H2
InChIKeyPHNMTNWZTKZDSD-UHFFFAOYSA-N
MW398.53 g/mol
LogP6.31
Rot. Bonds6

About 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane

2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane (PubChem CID 23049620) has the molecular formula C26H22O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane
PubChem CID23049620
Molecular FormulaC26H22O2S
Molecular Weight398.53 g/mol
Exact Mass398.13
IUPAC Name2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane
SMILESc1ccc2c(C(SC(c3cccc4ccccc34)C3CO3)C3CO3)cccc2c1
InChIInChI=1S/C26H22O2S/c1-3-11-19-17(7-1)9-5-13-21(19)25(23-15-27-23)29-26(24-16-28-24)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-26H,15-16H2
InChIKeyPHNMTNWZTKZDSD-UHFFFAOYSA-N
XLogP6.31
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanyloxysulfanylmethyl]oxirane
CID 139625447
[1,4-dioxan-2-yl(naphthalen-1-yl)methyl]hydrazine
CID 105301200
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332636
(S)-naphthalen-1-yl(oxan-4-yl)methanamine;hydrochloride
CID 171243613
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
1-(1-chloro-2-cyclopropylpropyl)naphthalene
CID 83148466
4-[amino(naphthalen-1-yl)methyl]cyclohexan-1-ol
CID 116941898
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane?
The IUPAC name of 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane (CID 23049620) is 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane.
What is the SMILES notation for 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane?
The canonical SMILES for 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane is c1ccc2c(C(SC(c3cccc4ccccc34)C3CO3)C3CO3)cccc2c1.
What is the InChIKey of 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane?
The InChIKey is PHNMTNWZTKZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2S/c1-3-11-19-17(7-1)9-5-13-21(19)25(23-15-27-23)29-26(24-16-28-24)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-26H,15-16H2.
What are the key properties of 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane?
2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane has a molecular weight of 398.53 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-1-yl-[naphthalen-1-yl(oxiran-2-yl)methyl]sulfanylmethyl]oxirane is sourced from PubChem (CID 23049620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).