1-[1-(2-methylpropoxy)ethylsulfanyl]butane

C10H22OS — CID 102336795

IUPAC1-[1-(2-methylpropoxy)ethylsulfanyl]butane
SMILESCCCCSC(C)OCC(C)C
InChIInChI=1S/C10H22OS/c1-5-6-7-12-10(4)11-8-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyCKOGMNTWPFDOJA-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.54
Rot. Bonds7

About 1-[1-(2-methylpropoxy)ethylsulfanyl]butane

1-[1-(2-methylpropoxy)ethylsulfanyl]butane (PubChem CID 102336795) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-[1-(2-methylpropoxy)ethylsulfanyl]butane.

Molecular Properties

Compound Name1-[1-(2-methylpropoxy)ethylsulfanyl]butane
PubChem CID102336795
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-[1-(2-methylpropoxy)ethylsulfanyl]butane
SMILESCCCCSC(C)OCC(C)C
InChIInChI=1S/C10H22OS/c1-5-6-7-12-10(4)11-8-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyCKOGMNTWPFDOJA-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methylethyl)-1,3-oxathiolane
CID 28673
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
Jmjgrbrvnkjamm-uhfffaoysa-
CID 21578782
Bis(2-propoxyethyl) sulfide
CID 58332404
1-Butoxy-2-butylmercaptoethane
CID 86145645
Diisobutylxanthate
CID 102014603
1-Butoxy-2-ethylmercaptoethane
CID 129809308
1-(2-Fluoroethylsulfanyl)-3-propoxypropane
CID 59366547
1,3-Oxathiane, 2,5-dimethyl
CID 529078
2-Isopropyl-6-methyl-1,3-oxathiane
CID 544306
2,5-Diisopropyl-1,3-oxathiane
CID 557698
1,3-Oxathiane, 2-(1-methylethyl)-
CID 568471

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropoxy)ethylsulfanyl]butane?
The IUPAC name of 1-[1-(2-methylpropoxy)ethylsulfanyl]butane (CID 102336795) is 1-[1-(2-methylpropoxy)ethylsulfanyl]butane.
What is the SMILES notation for 1-[1-(2-methylpropoxy)ethylsulfanyl]butane?
The canonical SMILES for 1-[1-(2-methylpropoxy)ethylsulfanyl]butane is CCCCSC(C)OCC(C)C.
What is the InChIKey of 1-[1-(2-methylpropoxy)ethylsulfanyl]butane?
The InChIKey is CKOGMNTWPFDOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-5-6-7-12-10(4)11-8-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-methylpropoxy)ethylsulfanyl]butane?
1-[1-(2-methylpropoxy)ethylsulfanyl]butane has a molecular weight of 190.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropoxy)ethylsulfanyl]butane is sourced from PubChem (CID 102336795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).