2-(3-methylbutan-2-ylsulfanyl)propan-2-ol

C8H18OS — CID 174325036

IUPAC2-(3-methylbutan-2-ylsulfanyl)propan-2-ol
SMILESCC(C)C(C)SC(C)(C)O
InChIInChI=1S/C8H18OS/c1-6(2)7(3)10-8(4,5)9/h6-7,9H,1-5H3
InChIKeyTZAURDXZFPXUCH-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol

2-(3-methylbutan-2-ylsulfanyl)propan-2-ol (PubChem CID 174325036) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)propan-2-ol
PubChem CID174325036
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)propan-2-ol
SMILESCC(C)C(C)SC(C)(C)O
InChIInChI=1S/C8H18OS/c1-6(2)7(3)10-8(4,5)9/h6-7,9H,1-5H3
InChIKeyTZAURDXZFPXUCH-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol (CID 174325036) is 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol is CC(C)C(C)SC(C)(C)O.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol?
The InChIKey is TZAURDXZFPXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-6(2)7(3)10-8(4,5)9/h6-7,9H,1-5H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol?
2-(3-methylbutan-2-ylsulfanyl)propan-2-ol has a molecular weight of 162.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 174325036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).