1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane

C15H32O4S2 — CID 57254908

IUPAC1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
SMILESCSCC(COC(C)C)OCOC(COC(C)C)CSC
InChIInChI=1S/C15H32O4S2/c1-12(2)16-7-14(9-20-5)18-11-19-15(10-21-6)8-17-13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyBSFQEHLYPLLBSW-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.29
Rot. Bonds14

About 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane

1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane (PubChem CID 57254908) has the molecular formula C15H32O4S2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane.

Molecular Properties

Compound Name1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
PubChem CID57254908
Molecular FormulaC15H32O4S2
Molecular Weight340.55 g/mol
Exact Mass340.17
IUPAC Name1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane
SMILESCSCC(COC(C)C)OCOC(COC(C)C)CSC
InChIInChI=1S/C15H32O4S2/c1-12(2)16-7-14(9-20-5)18-11-19-15(10-21-6)8-17-13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyBSFQEHLYPLLBSW-UHFFFAOYSA-N
XLogP3.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane 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 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
The IUPAC name of 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane (CID 57254908) is 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane.
What is the SMILES notation for 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
The canonical SMILES for 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane is CSCC(COC(C)C)OCOC(COC(C)C)CSC.
What is the InChIKey of 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
The InChIKey is BSFQEHLYPLLBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4S2/c1-12(2)16-7-14(9-20-5)18-11-19-15(10-21-6)8-17-13(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane?
1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane has a molecular weight of 340.55 g/mol, XLogP of 3.29, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-[(1-methylsulfanyl-3-propan-2-yloxypropan-2-yl)oxymethoxy]-3-propan-2-yloxypropane is sourced from PubChem (CID 57254908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).