4-ethylsulfanyl-2,3-dimethylbutan-1-ol

C8H18OS — CID 142075292

IUPAC4-ethylsulfanyl-2,3-dimethylbutan-1-ol
SMILESCCSCC(C)C(C)CO
InChIInChI=1S/C8H18OS/c1-4-10-6-8(3)7(2)5-9/h7-9H,4-6H2,1-3H3
InChIKeyFWPWKXXUDFJOKP-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.00
Rot. Bonds5

About 4-ethylsulfanyl-2,3-dimethylbutan-1-ol

4-ethylsulfanyl-2,3-dimethylbutan-1-ol (PubChem CID 142075292) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 4-ethylsulfanyl-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-ethylsulfanyl-2,3-dimethylbutan-1-ol
PubChem CID142075292
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name4-ethylsulfanyl-2,3-dimethylbutan-1-ol
SMILESCCSCC(C)C(C)CO
InChIInChI=1S/C8H18OS/c1-4-10-6-8(3)7(2)5-9/h7-9H,4-6H2,1-3H3
InChIKeyFWPWKXXUDFJOKP-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2,3-dimethylbutan-1-ol?
The IUPAC name of 4-ethylsulfanyl-2,3-dimethylbutan-1-ol (CID 142075292) is 4-ethylsulfanyl-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-ethylsulfanyl-2,3-dimethylbutan-1-ol?
The canonical SMILES for 4-ethylsulfanyl-2,3-dimethylbutan-1-ol is CCSCC(C)C(C)CO.
What is the InChIKey of 4-ethylsulfanyl-2,3-dimethylbutan-1-ol?
The InChIKey is FWPWKXXUDFJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-10-6-8(3)7(2)5-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-2,3-dimethylbutan-1-ol?
4-ethylsulfanyl-2,3-dimethylbutan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 142075292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).