1-methoxy-3-methyl-2-methylsulfanylbutane

C7H16OS — CID 90861803

IUPAC1-methoxy-3-methyl-2-methylsulfanylbutane
SMILESCOCC(SC)C(C)C
InChIInChI=1S/C7H16OS/c1-6(2)7(9-4)5-8-3/h6-7H,5H2,1-4H3
InChIKeyCLDLRMLWRWKKLZ-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.02
Rot. Bonds4

About 1-methoxy-3-methyl-2-methylsulfanylbutane

1-methoxy-3-methyl-2-methylsulfanylbutane (PubChem CID 90861803) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 1-methoxy-3-methyl-2-methylsulfanylbutane.

Molecular Properties

Compound Name1-methoxy-3-methyl-2-methylsulfanylbutane
PubChem CID90861803
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name1-methoxy-3-methyl-2-methylsulfanylbutane
SMILESCOCC(SC)C(C)C
InChIInChI=1S/C7H16OS/c1-6(2)7(9-4)5-8-3/h6-7H,5H2,1-4H3
InChIKeyCLDLRMLWRWKKLZ-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-3-methyl-2-methylsulfanylbutane 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-methoxy-3-methyl-2-methylsulfanylbutane?
The IUPAC name of 1-methoxy-3-methyl-2-methylsulfanylbutane (CID 90861803) is 1-methoxy-3-methyl-2-methylsulfanylbutane.
What is the SMILES notation for 1-methoxy-3-methyl-2-methylsulfanylbutane?
The canonical SMILES for 1-methoxy-3-methyl-2-methylsulfanylbutane is COCC(SC)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-2-methylsulfanylbutane?
The InChIKey is CLDLRMLWRWKKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-6(2)7(9-4)5-8-3/h6-7H,5H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-2-methylsulfanylbutane?
1-methoxy-3-methyl-2-methylsulfanylbutane has a molecular weight of 148.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-2-methylsulfanylbutane is sourced from PubChem (CID 90861803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).