chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane

C15H17ClSSi — CID 142744406

IUPACchloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane
SMILESCC1=C(C)C([Si](C)(C)Cl)c2sc3ccccc3c21
InChIInChI=1S/C15H17ClSSi/c1-9-10(2)15(18(3,4)16)14-13(9)11-7-5-6-8-12(11)17-14/h5-8,15H,1-4H3
InChIKeyHSONOXYFJRIVOJ-UHFFFAOYSA-N
MW292.91 g/mol
LogP5.78
Rot. Bonds1

About chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane

chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane (PubChem CID 142744406) has the molecular formula C15H17ClSSi and a molecular weight of 292.91 g/mol. Its IUPAC name is chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane
PubChem CID142744406
Molecular FormulaC15H17ClSSi
Molecular Weight292.91 g/mol
Exact Mass292.05
IUPAC Namechloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane
SMILESCC1=C(C)C([Si](C)(C)Cl)c2sc3ccccc3c21
InChIInChI=1S/C15H17ClSSi/c1-9-10(2)15(18(3,4)16)14-13(9)11-7-5-6-8-12(11)17-14/h5-8,15H,1-4H3
InChIKeyHSONOXYFJRIVOJ-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.91
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane?
The IUPAC name of chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane (CID 142744406) is chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane.
What is the SMILES notation for chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane?
The canonical SMILES for chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane is CC1=C(C)C([Si](C)(C)Cl)c2sc3ccccc3c21.
What is the InChIKey of chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane?
The InChIKey is HSONOXYFJRIVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClSSi/c1-9-10(2)15(18(3,4)16)14-13(9)11-7-5-6-8-12(11)17-14/h5-8,15H,1-4H3.
What are the key properties of chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane?
chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane has a molecular weight of 292.91 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1,2-dimethyl-3H-cyclopenta[b][1]benzothiol-3-yl)-dimethylsilane is sourced from PubChem (CID 142744406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).