3-methyl-1-(2-propylsulfanylethoxy)butane

C10H22OS — CID 164820208

IUPAC3-methyl-1-(2-propylsulfanylethoxy)butane
SMILESCCCSCCOCCC(C)C
InChIInChI=1S/C10H22OS/c1-4-8-12-9-7-11-6-5-10(2)3/h10H,4-9H2,1-3H3
InChIKeyCWTHAGYBYQXRIK-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.19
Rot. Bonds8

About 3-methyl-1-(2-propylsulfanylethoxy)butane

3-methyl-1-(2-propylsulfanylethoxy)butane (PubChem CID 164820208) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-methyl-1-(2-propylsulfanylethoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(2-propylsulfanylethoxy)butane
PubChem CID164820208
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-methyl-1-(2-propylsulfanylethoxy)butane
SMILESCCCSCCOCCC(C)C
InChIInChI=1S/C10H22OS/c1-4-8-12-9-7-11-6-5-10(2)3/h10H,4-9H2,1-3H3
InChIKeyCWTHAGYBYQXRIK-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Jmjgrbrvnkjamm-uhfffaoysa-
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1-Butoxy-2-butylmercaptoethane
CID 86145645
1-Butoxy-2-ethylmercaptoethane
CID 129809308
Dimethyl[(1-propyldodecyl)oxy]vinylsilane
CID 529633
2,5-Diisopropyl-1,3-oxathiane
CID 557698
(5R)-2,2-dimethyl-5-propan-2-yl-1,4-oxathiane
CID 10910079
1-[1-(2-Methylpropoxy)ethylsulfanyl]butane
CID 102336795
Butyraldehyde di-t-butyl thioacetal
CID 129804305
Acetone dibutyl thioketal
CID 129805801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylsulfanylethoxy)butane?
The IUPAC name of 3-methyl-1-(2-propylsulfanylethoxy)butane (CID 164820208) is 3-methyl-1-(2-propylsulfanylethoxy)butane.
What is the SMILES notation for 3-methyl-1-(2-propylsulfanylethoxy)butane?
The canonical SMILES for 3-methyl-1-(2-propylsulfanylethoxy)butane is CCCSCCOCCC(C)C.
What is the InChIKey of 3-methyl-1-(2-propylsulfanylethoxy)butane?
The InChIKey is CWTHAGYBYQXRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-4-8-12-9-7-11-6-5-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propylsulfanylethoxy)butane?
3-methyl-1-(2-propylsulfanylethoxy)butane has a molecular weight of 190.35 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylsulfanylethoxy)butane is sourced from PubChem (CID 164820208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).