6-methyl-7-trichlorosilylheptane-1-thiol

C8H17Cl3SSi — CID 140918216

IUPAC6-methyl-7-trichlorosilylheptane-1-thiol
SMILESCC(CCCCCS)C[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3SSi/c1-8(7-13(9,10)11)5-3-2-4-6-12/h8,12H,2-7H2,1H3
InChIKeyHBLIEZJPCKBFNR-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.77
Rot. Bonds7

About 6-methyl-7-trichlorosilylheptane-1-thiol

6-methyl-7-trichlorosilylheptane-1-thiol (PubChem CID 140918216) has the molecular formula C8H17Cl3SSi and a molecular weight of 279.74 g/mol. Its IUPAC name is 6-methyl-7-trichlorosilylheptane-1-thiol.

Molecular Properties

Compound Name6-methyl-7-trichlorosilylheptane-1-thiol
PubChem CID140918216
Molecular FormulaC8H17Cl3SSi
Molecular Weight279.74 g/mol
Exact Mass277.99
IUPAC Name6-methyl-7-trichlorosilylheptane-1-thiol
SMILESCC(CCCCCS)C[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H17Cl3SSi/c1-8(7-13(9,10)11)5-3-2-4-6-12/h8,12H,2-7H2,1H3
InChIKeyHBLIEZJPCKBFNR-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.77
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 6-methyl-7-trichlorosilylheptane-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

10-amino-9-methyldecane-1-thiol
CID 87559449
10-methylundecane-1-thiol
CID 18538216
nonane-1,8-dithiol
CID 151049978
5-methylhexane-1-thiol
CID 18699074
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
CID 87683373
27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
5-trichlorosilylpentane-1-thiol
CID 140708886
8-trichlorosilyloctane-1-thiol
CID 87461786
4,8,14-trimethyltetratriacontane
CID 6431076
octatriacontane-1,38-dithiol
CID 154319638
38-[dichloro(methyl)silyl]octatriacontane-1-thiol
CID 87684171
9-[dichloro(methyl)silyl]nonane-1-thiol
CID 87681480

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-trichlorosilylheptane-1-thiol?
The IUPAC name of 6-methyl-7-trichlorosilylheptane-1-thiol (CID 140918216) is 6-methyl-7-trichlorosilylheptane-1-thiol.
What is the SMILES notation for 6-methyl-7-trichlorosilylheptane-1-thiol?
The canonical SMILES for 6-methyl-7-trichlorosilylheptane-1-thiol is CC(CCCCCS)C[Si](Cl)(Cl)Cl.
What is the InChIKey of 6-methyl-7-trichlorosilylheptane-1-thiol?
The InChIKey is HBLIEZJPCKBFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl3SSi/c1-8(7-13(9,10)11)5-3-2-4-6-12/h8,12H,2-7H2,1H3.
What are the key properties of 6-methyl-7-trichlorosilylheptane-1-thiol?
6-methyl-7-trichlorosilylheptane-1-thiol has a molecular weight of 279.74 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-trichlorosilylheptane-1-thiol is sourced from PubChem (CID 140918216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).