3-ethylsulfanylbutan-1-ol

C6H14OS — CID 23039305

IUPAC3-ethylsulfanylbutan-1-ol
SMILESCCSC(C)CCO
InChIInChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyRNFXBUGJWZOUJT-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.51
Rot. Bonds4

About 3-ethylsulfanylbutan-1-ol

3-ethylsulfanylbutan-1-ol (PubChem CID 23039305) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 3-ethylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-ethylsulfanylbutan-1-ol
PubChem CID23039305
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name3-ethylsulfanylbutan-1-ol
SMILESCCSC(C)CCO
InChIInChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyRNFXBUGJWZOUJT-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylbutan-1-ol?
The IUPAC name of 3-ethylsulfanylbutan-1-ol (CID 23039305) is 3-ethylsulfanylbutan-1-ol.
What is the SMILES notation for 3-ethylsulfanylbutan-1-ol?
The canonical SMILES for 3-ethylsulfanylbutan-1-ol is CCSC(C)CCO.
What is the InChIKey of 3-ethylsulfanylbutan-1-ol?
The InChIKey is RNFXBUGJWZOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethylsulfanylbutan-1-ol?
3-ethylsulfanylbutan-1-ol has a molecular weight of 134.24 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylbutan-1-ol is sourced from PubChem (CID 23039305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).