lithium 2-trimethylsilylbenzenethiolate

C9H13LiSSi — CID 11106118

IUPAClithium 2-trimethylsilylbenzenethiolate
SMILESC[Si](C)(C)c1ccccc1[S-].[Li+]
InChIInChI=1S/C9H14SSi.Li/c1-11(2,3)9-7-5-4-6-8(9)10;/h4-7,10H,1-3H3;/q;+1/p-1
InChIKeyAYMHHPLKBDRAPZ-UHFFFAOYSA-M
MW188.30 g/mol
LogP-0.86
Rot. Bonds1

About lithium 2-trimethylsilylbenzenethiolate

lithium 2-trimethylsilylbenzenethiolate (PubChem CID 11106118) has the molecular formula C9H13LiSSi and a molecular weight of 188.30 g/mol. Its IUPAC name is lithium 2-trimethylsilylbenzenethiolate.

Molecular Properties

Compound Namelithium 2-trimethylsilylbenzenethiolate
PubChem CID11106118
Molecular FormulaC9H13LiSSi
Molecular Weight188.30 g/mol
Exact Mass188.07
IUPAC Namelithium 2-trimethylsilylbenzenethiolate
SMILESC[Si](C)(C)c1ccccc1[S-].[Li+]
InChIInChI=1S/C9H14SSi.Li/c1-11(2,3)9-7-5-4-6-8(9)10;/h4-7,10H,1-3H3;/q;+1/p-1
InChIKeyAYMHHPLKBDRAPZ-UHFFFAOYSA-M
XLogP-0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-trimethylsilylbenzenethiolate?
The IUPAC name of lithium 2-trimethylsilylbenzenethiolate (CID 11106118) is lithium 2-trimethylsilylbenzenethiolate.
What is the SMILES notation for lithium 2-trimethylsilylbenzenethiolate?
The canonical SMILES for lithium 2-trimethylsilylbenzenethiolate is C[Si](C)(C)c1ccccc1[S-].[Li+].
What is the InChIKey of lithium 2-trimethylsilylbenzenethiolate?
The InChIKey is AYMHHPLKBDRAPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14SSi.Li/c1-11(2,3)9-7-5-4-6-8(9)10;/h4-7,10H,1-3H3;/q;+1/p-1.
What are the key properties of lithium 2-trimethylsilylbenzenethiolate?
lithium 2-trimethylsilylbenzenethiolate has a molecular weight of 188.30 g/mol, XLogP of -0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-trimethylsilylbenzenethiolate is sourced from PubChem (CID 11106118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).