4-ethylsulfanyl-2-methylbutan-2-ol

C7H16OS — CID 12056374

IUPAC4-ethylsulfanyl-2-methylbutan-2-ol
SMILESCCSCCC(C)(C)O
InChIInChI=1S/C7H16OS/c1-4-9-6-5-7(2,3)8/h8H,4-6H2,1-3H3
InChIKeyIYYSZHOWMGRFRL-UHFFFAOYSA-N
MW148.27 g/mol
LogP1.90
Rot. Bonds4

About 4-ethylsulfanyl-2-methylbutan-2-ol

4-ethylsulfanyl-2-methylbutan-2-ol (PubChem CID 12056374) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-ethylsulfanyl-2-methylbutan-2-ol
PubChem CID12056374
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name4-ethylsulfanyl-2-methylbutan-2-ol
SMILESCCSCCC(C)(C)O
InChIInChI=1S/C7H16OS/c1-4-9-6-5-7(2,3)8/h8H,4-6H2,1-3H3
InChIKeyIYYSZHOWMGRFRL-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethylsulfanyl-2-methylbutan-2-ol 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 4-ethylsulfanyl-2-methylbutan-2-ol?
The IUPAC name of 4-ethylsulfanyl-2-methylbutan-2-ol (CID 12056374) is 4-ethylsulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-ethylsulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 4-ethylsulfanyl-2-methylbutan-2-ol is CCSCCC(C)(C)O.
What is the InChIKey of 4-ethylsulfanyl-2-methylbutan-2-ol?
The InChIKey is IYYSZHOWMGRFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-4-9-6-5-7(2,3)8/h8H,4-6H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-2-methylbutan-2-ol?
4-ethylsulfanyl-2-methylbutan-2-ol has a molecular weight of 148.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 12056374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).