1-butylsulfanyl-1-ethoxybutane

C10H22OS — CID 141009486

IUPAC1-butylsulfanyl-1-ethoxybutane
SMILESCCCCSC(CCC)OCC
InChIInChI=1S/C10H22OS/c1-4-7-9-12-10(8-5-2)11-6-3/h10H,4-9H2,1-3H3
InChIKeyINPDOMPARLLKSS-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.68
Rot. Bonds8

About 1-butylsulfanyl-1-ethoxybutane

1-butylsulfanyl-1-ethoxybutane (PubChem CID 141009486) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-butylsulfanyl-1-ethoxybutane.

Molecular Properties

Compound Name1-butylsulfanyl-1-ethoxybutane
PubChem CID141009486
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-butylsulfanyl-1-ethoxybutane
SMILESCCCCSC(CCC)OCC
InChIInChI=1S/C10H22OS/c1-4-7-9-12-10(8-5-2)11-6-3/h10H,4-9H2,1-3H3
InChIKeyINPDOMPARLLKSS-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.68
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

1-butylsulfanylbutyl bis(1-sulfanylbutyl) borate
CID 139922364
1-(1-ethoxyethylsulfanyl)dodecane
CID 173426954
2-(1-ethoxybutylsulfanylmethyl)furan
CID 141009482
5-ethoxynonane
CID 91187482
1,4-diethoxydecane
CID 140997951
1-(butyldisulfanyl)butane;copper
CID 159977501
1-(1-dodecylsulfanylbutylsulfanyl)dodecane
CID 21446623
9-ethoxyoctadecane
CID 87148376
6-butylsulfanyldodecane
CID 137401964
1-chloro-1-ethoxypentane
CID 19848155
tributyl(1-ethoxypentyl)stannane
CID 87709895
(1S)-N-butylsulfanyl-1-ethoxy-2,2,2-trifluoroethanamine
CID 88945212

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfanyl-1-ethoxybutane?
The IUPAC name of 1-butylsulfanyl-1-ethoxybutane (CID 141009486) is 1-butylsulfanyl-1-ethoxybutane.
What is the SMILES notation for 1-butylsulfanyl-1-ethoxybutane?
The canonical SMILES for 1-butylsulfanyl-1-ethoxybutane is CCCCSC(CCC)OCC.
What is the InChIKey of 1-butylsulfanyl-1-ethoxybutane?
The InChIKey is INPDOMPARLLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-4-7-9-12-10(8-5-2)11-6-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-butylsulfanyl-1-ethoxybutane?
1-butylsulfanyl-1-ethoxybutane has a molecular weight of 190.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfanyl-1-ethoxybutane is sourced from PubChem (CID 141009486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).