2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride

C14H22Cl4O2S2Si — CID 175438456

IUPAC2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride
SMILESCC(C)SC(C)C.O=S(=O)(Cl)c1ccccc1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl4O2SSi.C6H14S/c9-15(13,14)8-4-2-1-3-7(8)5-6-16(10,11)12;1-5(2)7-6(3)4/h1-4H,5-6H2;5-6H,1-4H3
InChIKeyLDDMTTHSUKYGTN-UHFFFAOYSA-N
MW456.36 g/mol
LogP6.35
Rot. Bonds6

About 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride

2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride (PubChem CID 175438456) has the molecular formula C14H22Cl4O2S2Si and a molecular weight of 456.36 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride
PubChem CID175438456
Molecular FormulaC14H22Cl4O2S2Si
Molecular Weight456.36 g/mol
Exact Mass453.96
IUPAC Name2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride
SMILESCC(C)SC(C)C.O=S(=O)(Cl)c1ccccc1CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C8H8Cl4O2SSi.C6H14S/c9-15(13,14)8-4-2-1-3-7(8)5-6-16(10,11)12;1-5(2)7-6(3)4/h1-4H,5-6H2;5-6H,1-4H3
InChIKeyLDDMTTHSUKYGTN-UHFFFAOYSA-N
XLogP6.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.36
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride 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

2-(2-methoxyethyl)benzenesulfonyl chloride
CID 102853291
2-(bromomethyl)benzenesulfonyl chloride
CID 13364626
2-(methylsulfinylmethyl)benzenesulfonyl chloride
CID 104721917
2-[2-(2-nitrophenyl)ethyl]benzenesulfonyl chloride
CID 107334851
2-pentan-2-yloxybenzenesulfonyl chloride
CID 86197607
sodium 2-(3-methylbutyl)benzenesulfonate
CID 156759154
2-(2-methylsulfonylphenyl)ethanamine;hydrochloride
CID 86222883
2-[methyl(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 43272185
2-(5-methylhexyl)benzenesulfonic acid
CID 6455580
2-dodecyl-N-propan-2-ylbenzenesulfonamide
CID 154161934
2-(10-methylundecyl)benzenesulfonic acid
CID 14767697
[2-(2-trichlorosilylethyl)phenyl] cyanate
CID 22003174

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride?
The IUPAC name of 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride (CID 175438456) is 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride is CC(C)SC(C)C.O=S(=O)(Cl)c1ccccc1CC[Si](Cl)(Cl)Cl.
What is the InChIKey of 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride?
The InChIKey is LDDMTTHSUKYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4O2SSi.C6H14S/c9-15(13,14)8-4-2-1-3-7(8)5-6-16(10,11)12;1-5(2)7-6(3)4/h1-4H,5-6H2;5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride?
2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride has a molecular weight of 456.36 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpropane;2-(2-trichlorosilylethyl)benzenesulfonyl chloride is sourced from PubChem (CID 175438456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).