2-(ethoxymethylsulfanyl)butane

C7H16OS — CID 141009488

IUPAC2-(ethoxymethylsulfanyl)butane
SMILESCCOCSC(C)CC
InChIInChI=1S/C7H16OS/c1-4-7(3)9-6-8-5-2/h7H,4-6H2,1-3H3
InChIKeyQCVKMBRNZDNBJU-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.51
Rot. Bonds5

About 2-(ethoxymethylsulfanyl)butane

2-(ethoxymethylsulfanyl)butane (PubChem CID 141009488) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-(ethoxymethylsulfanyl)butane.

Molecular Properties

Compound Name2-(ethoxymethylsulfanyl)butane
PubChem CID141009488
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-(ethoxymethylsulfanyl)butane
SMILESCCOCSC(C)CC
InChIInChI=1S/C7H16OS/c1-4-7(3)9-6-8-5-2/h7H,4-6H2,1-3H3
InChIKeyQCVKMBRNZDNBJU-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.51
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

Ethane, 1-methoxy-2-(methylthio)-
CID 4431608
1,3-Bis(methylthio)-2-methoxypropane
CID 520544
Dibutylxanthate
CID 12326086
s-Butyl o-ethyl carbonodithioate
CID 234019
Ethane, ((ethoxymethyl)thio)-
CID 547812
1-(Butylsulfanyl)-2-ethoxyethane
CID 20272639
n-Amyl xanthate
CID 14324980
2-(2-Methoxyethylsulfanyl)propane
CID 15084477
1-Ethoxy-4-methylsulfanylbutane
CID 54104261
4-Methyl-1,3-oxathiane
CID 54139805
4-Ethyl-1,3-oxathiolane
CID 67192955
1-Butoxy-2-butylmercaptoethane
CID 86145645

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylsulfanyl)butane?
The IUPAC name of 2-(ethoxymethylsulfanyl)butane (CID 141009488) is 2-(ethoxymethylsulfanyl)butane.
What is the SMILES notation for 2-(ethoxymethylsulfanyl)butane?
The canonical SMILES for 2-(ethoxymethylsulfanyl)butane is CCOCSC(C)CC.
What is the InChIKey of 2-(ethoxymethylsulfanyl)butane?
The InChIKey is QCVKMBRNZDNBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-4-7(3)9-6-8-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-(ethoxymethylsulfanyl)butane?
2-(ethoxymethylsulfanyl)butane has a molecular weight of 148.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylsulfanyl)butane is sourced from PubChem (CID 141009488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).