2-butylsulfanylethanethiol

C6H14S2 — CID 3613970

IUPAC2-butylsulfanylethanethiol
SMILESCCCCSCCS
InChIInChI=1S/C6H14S2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKeyVCHWFAUDBGLXCJ-UHFFFAOYSA-N
MW150.31 g/mol
LogP2.45
Rot. Bonds5

About 2-butylsulfanylethanethiol

2-butylsulfanylethanethiol (PubChem CID 3613970) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is 2-butylsulfanylethanethiol.

Molecular Properties

Compound Name2-butylsulfanylethanethiol
PubChem CID3613970
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Name2-butylsulfanylethanethiol
SMILESCCCCSCCS
InChIInChI=1S/C6H14S2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKeyVCHWFAUDBGLXCJ-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-dodecylsulfanylethanethiol
CID 19846581
tris(2-dodecylsulfanylethanethiol);stibane
CID 173397568
2-butylsulfanylethanethiol;hex-3-ene-1-thiol
CID 54089950
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
9-pentylsulfanylnonane-1-thiol
CID 107766456
2-[4,4-bis[3-(2-sulfanylethylsulfanyl)propyl]decylsulfanyl]ethanethiol
CID 167690782
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
1-hexylsulfanyloctadecane
CID 21424485
1-tetracosylsulfanyltetracosane
CID 14647813
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanylethanethiol?
The IUPAC name of 2-butylsulfanylethanethiol (CID 3613970) is 2-butylsulfanylethanethiol.
What is the SMILES notation for 2-butylsulfanylethanethiol?
The canonical SMILES for 2-butylsulfanylethanethiol is CCCCSCCS.
What is the InChIKey of 2-butylsulfanylethanethiol?
The InChIKey is VCHWFAUDBGLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3.
What are the key properties of 2-butylsulfanylethanethiol?
2-butylsulfanylethanethiol has a molecular weight of 150.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanylethanethiol is sourced from PubChem (CID 3613970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).