33-[chloro(dimethyl)silyl]tritriacontane-1-thiol

C35H73ClSSi — CID 87683373

IUPAC33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C35H73ClSSi/c1-38(2,36)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37/h37H,3-35H2,1-2H3
InChIKeyXFTAOMOBKRSSOQ-UHFFFAOYSA-N
MW589.58 g/mol
LogP14.45
Rot. Bonds33

About 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol

33-[chloro(dimethyl)silyl]tritriacontane-1-thiol (PubChem CID 87683373) has the molecular formula C35H73ClSSi and a molecular weight of 589.58 g/mol. Its IUPAC name is 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol.

Molecular Properties

Compound Name33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
PubChem CID87683373
Molecular FormulaC35H73ClSSi
Molecular Weight589.58 g/mol
Exact Mass588.49
IUPAC Name33-[chloro(dimethyl)silyl]tritriacontane-1-thiol
SMILESC[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS
InChIInChI=1S/C35H73ClSSi/c1-38(2,36)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37/h37H,3-35H2,1-2H3
InChIKeyXFTAOMOBKRSSOQ-UHFFFAOYSA-N
XLogP14.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.58
LogP ≤ 514.45
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'}

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Related Compounds

27-[chloro(dimethyl)silyl]heptacosane-1-thiol
CID 87683227
38-[dichloro(methyl)silyl]octatriacontane-1-thiol
CID 87684171
9-[dichloro(methyl)silyl]nonane-1-thiol
CID 87681480
5-trichlorosilylpentane-1-thiol
CID 140708886
8-trichlorosilyloctane-1-thiol
CID 87461786
chloro-(24-chlorotetracosyl)-dimethylsilane
CID 87683150
chloro-dimethyl-nonadecylsilane
CID 87338427
27-[chloro(dimethyl)silyl]heptacosan-1-ol
CID 87680833
22-[chloro(dimethyl)silyl]docosan-1-ol
CID 87686032
18-bromooctadecyl-chloro-dimethylsilane
CID 87683175
29-[chloro(dimethyl)silyl]nonacosan-1-ol
CID 87682143
32-[chloro(dimethyl)silyl]dotriacontan-1-ol
CID 87684424

Frequently Asked Questions

What is the IUPAC name of 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol?
The IUPAC name of 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol (CID 87683373) is 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol.
What is the SMILES notation for 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol?
The canonical SMILES for 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol is C[Si](C)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS.
What is the InChIKey of 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol?
The InChIKey is XFTAOMOBKRSSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73ClSSi/c1-38(2,36)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37/h37H,3-35H2,1-2H3.
What are the key properties of 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol?
33-[chloro(dimethyl)silyl]tritriacontane-1-thiol has a molecular weight of 589.58 g/mol, XLogP of 14.45, 33 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 33-[chloro(dimethyl)silyl]tritriacontane-1-thiol is sourced from PubChem (CID 87683373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).