2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane

C18H20O2S2 — CID 101251309

IUPAC2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane
SMILESc1ccc2c(CSCC3CO3)ccc(CSCC3CO3)c2c1
InChIInChI=1S/C18H20O2S2/c1-2-4-18-14(10-22-12-16-8-20-16)6-5-13(17(18)3-1)9-21-11-15-7-19-15/h1-6,15-16H,7-12H2
InChIKeyURJKOEAMRUPHQM-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.10
Rot. Bonds8

About 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane

2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane (PubChem CID 101251309) has the molecular formula C18H20O2S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane
PubChem CID101251309
Molecular FormulaC18H20O2S2
Molecular Weight332.49 g/mol
Exact Mass332.09
IUPAC Name2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane
SMILESc1ccc2c(CSCC3CO3)ccc(CSCC3CO3)c2c1
InChIInChI=1S/C18H20O2S2/c1-2-4-18-14(10-22-12-16-8-20-16)6-5-13(17(18)3-1)9-21-11-15-7-19-15/h1-6,15-16H,7-12H2
InChIKeyURJKOEAMRUPHQM-UHFFFAOYSA-N
XLogP4.10
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane?
The IUPAC name of 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane (CID 101251309) is 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane.
What is the SMILES notation for 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane?
The canonical SMILES for 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane is c1ccc2c(CSCC3CO3)ccc(CSCC3CO3)c2c1.
What is the InChIKey of 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane?
The InChIKey is URJKOEAMRUPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S2/c1-2-4-18-14(10-22-12-16-8-20-16)6-5-13(17(18)3-1)9-21-11-15-7-19-15/h1-6,15-16H,7-12H2.
What are the key properties of 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane?
2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane has a molecular weight of 332.49 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxiran-2-ylmethylsulfanylmethyl)naphthalen-1-yl]methylsulfanylmethyl]oxirane is sourced from PubChem (CID 101251309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).