2-ethyl-2-ethylsulfanylbutan-1-ol

C8H18OS — CID 130690226

IUPAC2-ethyl-2-ethylsulfanylbutan-1-ol
SMILESCCSC(CC)(CC)CO
InChIInChI=1S/C8H18OS/c1-4-8(5-2,7-9)10-6-3/h9H,4-7H2,1-3H3
InChIKeySLHTUOSJOAESCZ-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.29
Rot. Bonds5

About 2-ethyl-2-ethylsulfanylbutan-1-ol

2-ethyl-2-ethylsulfanylbutan-1-ol (PubChem CID 130690226) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-ethyl-2-ethylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-ethylsulfanylbutan-1-ol
PubChem CID130690226
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-ethyl-2-ethylsulfanylbutan-1-ol
SMILESCCSC(CC)(CC)CO
InChIInChI=1S/C8H18OS/c1-4-8(5-2,7-9)10-6-3/h9H,4-7H2,1-3H3
InChIKeySLHTUOSJOAESCZ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-propylsulfanylpropane-1,3-diol
CID 13136534
2-methyl-2-propylsulfanylpropan-1-ol
CID 116852243
ethanol;phosphane
CID 159788730
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277
1,2-bis(ethylsulfanyl)-1,1,2,2-tetrafluoroethane
CID 154217378
2-methoxybutane-1,2-diol
CID 88761953
2-(5-ethyl-3-methyl-5-methylsulfanylheptan-3-yl)sulfanylethanol
CID 122536285
2,4-diethyl-2,4-bis(hydroxymethyl)pentane-1,5-diol
CID 11644235
CID 87987203
CID 87987203
ethene;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 88683214
azanium;2,2-diethylbutan-1-ol;hydroxide
CID 161381888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-ethylsulfanylbutan-1-ol?
The IUPAC name of 2-ethyl-2-ethylsulfanylbutan-1-ol (CID 130690226) is 2-ethyl-2-ethylsulfanylbutan-1-ol.
What is the SMILES notation for 2-ethyl-2-ethylsulfanylbutan-1-ol?
The canonical SMILES for 2-ethyl-2-ethylsulfanylbutan-1-ol is CCSC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-ethylsulfanylbutan-1-ol?
The InChIKey is SLHTUOSJOAESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-8(5-2,7-9)10-6-3/h9H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-2-ethylsulfanylbutan-1-ol?
2-ethyl-2-ethylsulfanylbutan-1-ol has a molecular weight of 162.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-ethylsulfanylbutan-1-ol is sourced from PubChem (CID 130690226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).