CID 136778014

C8H11SSi — CID 136778014

IUPAC—
SMILESC[Si](C)Sc1ccccc1
InChIInChI=1S/C8H11SSi/c1-10(2)9-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyFWOWEGHSUQYTOX-UHFFFAOYSA-N
MW167.33 g/mol
LogP3.03
Rot. Bonds2

About CID 136778014

CID 136778014 (PubChem CID 136778014) has the molecular formula C8H11SSi and a molecular weight of 167.33 g/mol.

Molecular Properties

Compound NameCID 136778014
PubChem CID136778014
Molecular FormulaC8H11SSi
Molecular Weight167.33 g/mol
Exact Mass167.04
IUPAC Name—
SMILESC[Si](C)Sc1ccccc1
InChIInChI=1S/C8H11SSi/c1-10(2)9-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyFWOWEGHSUQYTOX-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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selanylsulfanylbenzene
CID 160613497
ethylsulfanylbenzene;dihydrochloride
CID 18353835
ethanethiol;phenylsulfanylbenzene
CID 174826904
acetonitrile;phenylsulfanylbenzene
CID 175483964
S-phenylthiohydroxylamine;hydrochloride
CID 162320806
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
bis(phenylsulfanyl)phosphane
CID 69055094

Frequently Asked Questions

What is the IUPAC name of CID 136778014?
The IUPAC name of CID 136778014 (CID 136778014) is not available.
What is the SMILES notation for CID 136778014?
The canonical SMILES for CID 136778014 is C[Si](C)Sc1ccccc1.
What is the InChIKey of CID 136778014?
The InChIKey is FWOWEGHSUQYTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11SSi/c1-10(2)9-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of CID 136778014?
CID 136778014 has a molecular weight of 167.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136778014 is sourced from PubChem (CID 136778014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).