6-ethyltetradecane-1-thiol

C16H34S — CID 57128537

IUPAC6-ethyltetradecane-1-thiol
SMILESCCCCCCCCC(CC)CCCCCS
InChIInChI=1S/C16H34S/c1-3-5-6-7-8-10-13-16(4-2)14-11-9-12-15-17/h16-17H,3-15H2,1-2H3
InChIKeyQDMSGIGYOHIYMW-UHFFFAOYSA-N
MW258.51 g/mol
LogP6.25
Rot. Bonds13

About 6-ethyltetradecane-1-thiol

6-ethyltetradecane-1-thiol (PubChem CID 57128537) has the molecular formula C16H34S and a molecular weight of 258.51 g/mol. Its IUPAC name is 6-ethyltetradecane-1-thiol.

Molecular Properties

Compound Name6-ethyltetradecane-1-thiol
PubChem CID57128537
Molecular FormulaC16H34S
Molecular Weight258.51 g/mol
Exact Mass258.24
IUPAC Name6-ethyltetradecane-1-thiol
SMILESCCCCCCCCC(CC)CCCCCS
InChIInChI=1S/C16H34S/c1-3-5-6-7-8-10-13-16(4-2)14-11-9-12-15-17/h16-17H,3-15H2,1-2H3
InChIKeyQDMSGIGYOHIYMW-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.51
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethyltetradecane-1-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

7-ethylpentadecane-1-thiol
CID 57129147
4-ethyldecane-1-thiol
CID 87200065
5-pentyldodecane-1-thiol
CID 57231870
5-butyltetradecane-1-thiol
CID 57296634
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
5-ethylheptane-1-thiol
CID 141457634
7-ethyltridecane;methane
CID 158982306
2-ethyloctane-1,8-dithiol
CID 122629942
4-ethylhexadecane
CID 528433

Frequently Asked Questions

What is the IUPAC name of 6-ethyltetradecane-1-thiol?
The IUPAC name of 6-ethyltetradecane-1-thiol (CID 57128537) is 6-ethyltetradecane-1-thiol.
What is the SMILES notation for 6-ethyltetradecane-1-thiol?
The canonical SMILES for 6-ethyltetradecane-1-thiol is CCCCCCCCC(CC)CCCCCS.
What is the InChIKey of 6-ethyltetradecane-1-thiol?
The InChIKey is QDMSGIGYOHIYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34S/c1-3-5-6-7-8-10-13-16(4-2)14-11-9-12-15-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 6-ethyltetradecane-1-thiol?
6-ethyltetradecane-1-thiol has a molecular weight of 258.51 g/mol, XLogP of 6.25, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyltetradecane-1-thiol is sourced from PubChem (CID 57128537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).