1-trichlorosilylhexane-1-thiol

C6H13Cl3SSi — CID 175208338

IUPAC1-trichlorosilylhexane-1-thiol
SMILESCCCCCC(S)[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H13Cl3SSi/c1-2-3-4-5-6(10)11(7,8)9/h6,10H,2-5H2,1H3
InChIKeyCOMPDUBPXDWFES-UHFFFAOYSA-N
MW251.68 g/mol
LogP4.06
Rot. Bonds5

About 1-trichlorosilylhexane-1-thiol

1-trichlorosilylhexane-1-thiol (PubChem CID 175208338) has the molecular formula C6H13Cl3SSi and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-trichlorosilylhexane-1-thiol.

Molecular Properties

Compound Name1-trichlorosilylhexane-1-thiol
PubChem CID175208338
Molecular FormulaC6H13Cl3SSi
Molecular Weight251.68 g/mol
Exact Mass249.96
IUPAC Name1-trichlorosilylhexane-1-thiol
SMILESCCCCCC(S)[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H13Cl3SSi/c1-2-3-4-5-6(10)11(7,8)9/h6,10H,2-5H2,1H3
InChIKeyCOMPDUBPXDWFES-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-trichlorosilylhexane-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

1-[chloro(dimethyl)silyl]undecane-1-thiol
CID 87857427
hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol
CID 158456627
(6R,7R)-dodecane-6,7-dithiol
CID 97050337
trichloro(1-fluorododecyl)silane
CID 87425947
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
azane;hexane-1,1-dithiol
CID 146444544
dodecane-6-thiol
CID 18757094
hexadecane-6,7-dithiol
CID 91163003
1,1-dichloroheptane
CID 13184
docosane-10,11-dithiol
CID 123269259
dichloro(dimethyl)silane;2-methylheptane
CID 87807519
2-trichlorosilylicosan-1-ol
CID 175038125

Frequently Asked Questions

What is the IUPAC name of 1-trichlorosilylhexane-1-thiol?
The IUPAC name of 1-trichlorosilylhexane-1-thiol (CID 175208338) is 1-trichlorosilylhexane-1-thiol.
What is the SMILES notation for 1-trichlorosilylhexane-1-thiol?
The canonical SMILES for 1-trichlorosilylhexane-1-thiol is CCCCCC(S)[Si](Cl)(Cl)Cl.
What is the InChIKey of 1-trichlorosilylhexane-1-thiol?
The InChIKey is COMPDUBPXDWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl3SSi/c1-2-3-4-5-6(10)11(7,8)9/h6,10H,2-5H2,1H3.
What are the key properties of 1-trichlorosilylhexane-1-thiol?
1-trichlorosilylhexane-1-thiol has a molecular weight of 251.68 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trichlorosilylhexane-1-thiol is sourced from PubChem (CID 175208338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).