10-methylundecane-1-thiol

C12H26S — CID 18538216

IUPAC10-methylundecane-1-thiol
SMILESCC(C)CCCCCCCCCS
InChIInChI=1S/C12H26S/c1-12(2)10-8-6-4-3-5-7-9-11-13/h12-13H,3-11H2,1-2H3
InChIKeyXOPKJYARAOXLCA-UHFFFAOYSA-N
MW202.41 g/mol
LogP4.69
Rot. Bonds9

About 10-methylundecane-1-thiol

10-methylundecane-1-thiol (PubChem CID 18538216) has the molecular formula C12H26S and a molecular weight of 202.41 g/mol. Its IUPAC name is 10-methylundecane-1-thiol.

Molecular Properties

Compound Name10-methylundecane-1-thiol
PubChem CID18538216
Molecular FormulaC12H26S
Molecular Weight202.41 g/mol
Exact Mass202.18
IUPAC Name10-methylundecane-1-thiol
SMILESCC(C)CCCCCCCCCS
InChIInChI=1S/C12H26S/c1-12(2)10-8-6-4-3-5-7-9-11-13/h12-13H,3-11H2,1-2H3
InChIKeyXOPKJYARAOXLCA-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.41
LogP ≤ 54.69
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

5-methylhexane-1-thiol
CID 18699074
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
nonane-1,8-dithiol
CID 151049978
2,9,13-trimethylhexadecane
CID 123827297
10-amino-9-methyldecane-1-thiol
CID 87559449
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
2-methyloctacosane
CID 519147
22-methyltricosylphosphanium bromide
CID 87821946
2,34-dimethylpentatriacontan-18-amine
CID 141007495
2-methyldecane
CID 23415
2-methylpentaoctacontane
CID 90745672

Frequently Asked Questions

What is the IUPAC name of 10-methylundecane-1-thiol?
The IUPAC name of 10-methylundecane-1-thiol (CID 18538216) is 10-methylundecane-1-thiol.
What is the SMILES notation for 10-methylundecane-1-thiol?
The canonical SMILES for 10-methylundecane-1-thiol is CC(C)CCCCCCCCCS.
What is the InChIKey of 10-methylundecane-1-thiol?
The InChIKey is XOPKJYARAOXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S/c1-12(2)10-8-6-4-3-5-7-9-11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 10-methylundecane-1-thiol?
10-methylundecane-1-thiol has a molecular weight of 202.41 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundecane-1-thiol is sourced from PubChem (CID 18538216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).