2-ethylhexane-1-thiol;molybdenum

C8H18MoS — CID 88652691

IUPAC2-ethylhexane-1-thiol;molybdenum
SMILESCCCCC(CC)CS.[Mo]
InChIInChI=1S/C8H18S.Mo/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;
InChIKeyWSVBKDOXZNUCDY-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.13
Rot. Bonds5

About 2-ethylhexane-1-thiol;molybdenum

2-ethylhexane-1-thiol;molybdenum (PubChem CID 88652691) has the molecular formula C8H18MoS and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-ethylhexane-1-thiol;molybdenum.

Molecular Properties

Compound Name2-ethylhexane-1-thiol;molybdenum
PubChem CID88652691
Molecular FormulaC8H18MoS
Molecular Weight242.24 g/mol
Exact Mass244.02
IUPAC Name2-ethylhexane-1-thiol;molybdenum
SMILESCCCCC(CC)CS.[Mo]
InChIInChI=1S/C8H18S.Mo/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;
InChIKeyWSVBKDOXZNUCDY-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethylhexane-1-thiol;molybdenum 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

2-ethyloctane-1,8-dithiol
CID 122629942
2-pentyloctane-1-thiol
CID 170312154
2-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
[(2R)-2-ethylhexyl]-tris[(2S)-2-ethylhexyl]silane
CID 99771332
5-ethylnonane;5-propylnonane
CID 157441807
2-(butylaminomethyl)butane-1-thiol
CID 142660120
2-[2-(dimethylamino)ethyl]hexane-1-thiol
CID 23362368
(5S)-3,5-diethylnonane;methane
CID 159387669
(2S)-2-ethylhexan-1-amine
CID 6999997
7-ethylpentadecane-1-thiol
CID 57129147
4-ethyldecane-1-thiol
CID 87200065
6-ethyltetradecane-1-thiol
CID 57128537

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexane-1-thiol;molybdenum?
The IUPAC name of 2-ethylhexane-1-thiol;molybdenum (CID 88652691) is 2-ethylhexane-1-thiol;molybdenum.
What is the SMILES notation for 2-ethylhexane-1-thiol;molybdenum?
The canonical SMILES for 2-ethylhexane-1-thiol;molybdenum is CCCCC(CC)CS.[Mo].
What is the InChIKey of 2-ethylhexane-1-thiol;molybdenum?
The InChIKey is WSVBKDOXZNUCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S.Mo/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;.
What are the key properties of 2-ethylhexane-1-thiol;molybdenum?
2-ethylhexane-1-thiol;molybdenum has a molecular weight of 242.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexane-1-thiol;molybdenum is sourced from PubChem (CID 88652691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).