1-methoxypentane-3-thiol

C6H14OS — CID 21429489

IUPAC1-methoxypentane-3-thiol
SMILESCCC(S)CCOC
InChIInChI=1S/C6H14OS/c1-3-6(8)4-5-7-2/h6,8H,3-5H2,1-2H3
InChIKeyBDJHNHYJTNCVBF-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.73
Rot. Bonds4

About 1-methoxypentane-3-thiol

1-methoxypentane-3-thiol (PubChem CID 21429489) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 1-methoxypentane-3-thiol.

Molecular Properties

Compound Name1-methoxypentane-3-thiol
PubChem CID21429489
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name1-methoxypentane-3-thiol
SMILESCCC(S)CCOC
InChIInChI=1S/C6H14OS/c1-3-6(8)4-5-7-2/h6,8H,3-5H2,1-2H3
InChIKeyBDJHNHYJTNCVBF-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxypentane-3-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-1-methoxypentane
CID 159134850
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
4-ethyl-6-methoxyhex-2-yne
CID 178086541
2-ethyl-4-methoxybutan-1-ol
CID 66058779
3-ethyl-5-methoxypentan-2-amine
CID 61000817
1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
3-ethoxy-1,5-dimethoxypentane
CID 20810650
ethane;1-methoxy-3-methylbutane
CID 144580604
1,3-dimethoxy-N-methylpropan-1-amine
CID 174961293
(1-methoxy-4-methylhexan-3-yl)hydrazine
CID 105206462
(7R,12S)-7,12-bis(sulfanylmethyl)octadecane-3,6,9,10,13,16-hexathiol
CID 141367683
(3R)-3-ethyl-1-methoxynonane
CID 118890071

Frequently Asked Questions

What is the IUPAC name of 1-methoxypentane-3-thiol?
The IUPAC name of 1-methoxypentane-3-thiol (CID 21429489) is 1-methoxypentane-3-thiol.
What is the SMILES notation for 1-methoxypentane-3-thiol?
The canonical SMILES for 1-methoxypentane-3-thiol is CCC(S)CCOC.
What is the InChIKey of 1-methoxypentane-3-thiol?
The InChIKey is BDJHNHYJTNCVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-3-6(8)4-5-7-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-methoxypentane-3-thiol?
1-methoxypentane-3-thiol has a molecular weight of 134.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentane-3-thiol is sourced from PubChem (CID 21429489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).