2-methyldecane-1-thiol

C11H24S — CID 57124133

IUPAC2-methyldecane-1-thiol
SMILESCCCCCCCCC(C)CS
InChIInChI=1S/C11H24S/c1-3-4-5-6-7-8-9-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyOFMVEYKTTUFGKA-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.30
Rot. Bonds8

About 2-methyldecane-1-thiol

2-methyldecane-1-thiol (PubChem CID 57124133) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 2-methyldecane-1-thiol.

Molecular Properties

Compound Name2-methyldecane-1-thiol
PubChem CID57124133
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name2-methyldecane-1-thiol
SMILESCCCCCCCCC(C)CS
InChIInChI=1S/C11H24S/c1-3-4-5-6-7-8-9-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKeyOFMVEYKTTUFGKA-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.30
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'}

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Related Compounds

2-methylicosane-1-thiol
CID 87259428
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 2-methyldecane-1-thiol?
The IUPAC name of 2-methyldecane-1-thiol (CID 57124133) is 2-methyldecane-1-thiol.
What is the SMILES notation for 2-methyldecane-1-thiol?
The canonical SMILES for 2-methyldecane-1-thiol is CCCCCCCCC(C)CS.
What is the InChIKey of 2-methyldecane-1-thiol?
The InChIKey is OFMVEYKTTUFGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-3-4-5-6-7-8-9-11(2)10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-methyldecane-1-thiol?
2-methyldecane-1-thiol has a molecular weight of 188.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecane-1-thiol is sourced from PubChem (CID 57124133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).