1-hydroxysulfanyl-2-methylpentane

C6H14OS — CID 144539311

IUPAC1-hydroxysulfanyl-2-methylpentane
SMILESCCCC(C)CSO
InChIInChI=1S/C6H14OS/c1-3-4-6(2)5-8-7/h6-7H,3-5H2,1-2H3
InChIKeyMYJMJEILBLNJFQ-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.63
Rot. Bonds4

About 1-hydroxysulfanyl-2-methylpentane

1-hydroxysulfanyl-2-methylpentane (PubChem CID 144539311) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 1-hydroxysulfanyl-2-methylpentane.

Molecular Properties

Compound Name1-hydroxysulfanyl-2-methylpentane
PubChem CID144539311
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name1-hydroxysulfanyl-2-methylpentane
SMILESCCCC(C)CSO
InChIInChI=1S/C6H14OS/c1-3-4-6(2)5-8-7/h6-7H,3-5H2,1-2H3
InChIKeyMYJMJEILBLNJFQ-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfanyl-2-methylpentane?
The IUPAC name of 1-hydroxysulfanyl-2-methylpentane (CID 144539311) is 1-hydroxysulfanyl-2-methylpentane.
What is the SMILES notation for 1-hydroxysulfanyl-2-methylpentane?
The canonical SMILES for 1-hydroxysulfanyl-2-methylpentane is CCCC(C)CSO.
What is the InChIKey of 1-hydroxysulfanyl-2-methylpentane?
The InChIKey is MYJMJEILBLNJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-4-6(2)5-8-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-hydroxysulfanyl-2-methylpentane?
1-hydroxysulfanyl-2-methylpentane has a molecular weight of 134.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfanyl-2-methylpentane is sourced from PubChem (CID 144539311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).