lithium 2-dimethoxysilyl-2-methylpropanethioate

C6H13LiO3SSi — CID 172859094

IUPAClithium 2-dimethoxysilyl-2-methylpropanethioate
SMILESCO[SiH](OC)C(C)(C)C([O-])=S.[Li+]
InChIInChI=1S/C6H14O3SSi.Li/c1-6(2,5(7)10)11(8-3)9-4;/h11H,1-4H3,(H,7,10);/q;+1/p-1
InChIKeyZCPBDZPHKROXLI-UHFFFAOYSA-M
MW200.26 g/mol
LogP-3.03
Rot. Bonds4

About lithium 2-dimethoxysilyl-2-methylpropanethioate

lithium 2-dimethoxysilyl-2-methylpropanethioate (PubChem CID 172859094) has the molecular formula C6H13LiO3SSi and a molecular weight of 200.26 g/mol. Its IUPAC name is lithium 2-dimethoxysilyl-2-methylpropanethioate.

Molecular Properties

Compound Namelithium 2-dimethoxysilyl-2-methylpropanethioate
PubChem CID172859094
Molecular FormulaC6H13LiO3SSi
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Namelithium 2-dimethoxysilyl-2-methylpropanethioate
SMILESCO[SiH](OC)C(C)(C)C([O-])=S.[Li+]
InChIInChI=1S/C6H14O3SSi.Li/c1-6(2,5(7)10)11(8-3)9-4;/h11H,1-4H3,(H,7,10);/q;+1/p-1
InChIKeyZCPBDZPHKROXLI-UHFFFAOYSA-M
XLogP-3.03
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-3.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium 2-dimethoxysilyl-2-methylpropanethioate 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

lithium (E)-1-methoxy-3,3-dimethylbut-1-en-1-olate
CID 23691907
dimethoxy(2,2,3-trimethylpentan-3-yl)silane
CID 173198479
lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
CID 10464342
dimethoxy(trifluoromethyl)silane;propane
CID 174811969
2-methoxy-2-methylpropanoate
CID 21283494
O-methyl 2,2-difluoropropanethioate
CID 54135375
4-(methoxyamino)-4-methylpentan-1-ol
CID 146333105
lithium 2-methylpropan-2-ol
CID 21120036
1-[tert-butyl(dimethyl)silyl]-4-dimethoxysilylbutane-1-thione
CID 159827081
3,13-bis(dimethoxysilyl)-3,13-dimethylpentadecan-8-one
CID 154148708
chloromethane;thiocarbonyl dichloride
CID 175090712
(ditert-butylamino)oxymethanedithioic acid
CID 87721480

Frequently Asked Questions

What is the IUPAC name of lithium 2-dimethoxysilyl-2-methylpropanethioate?
The IUPAC name of lithium 2-dimethoxysilyl-2-methylpropanethioate (CID 172859094) is lithium 2-dimethoxysilyl-2-methylpropanethioate.
What is the SMILES notation for lithium 2-dimethoxysilyl-2-methylpropanethioate?
The canonical SMILES for lithium 2-dimethoxysilyl-2-methylpropanethioate is CO[SiH](OC)C(C)(C)C([O-])=S.[Li+].
What is the InChIKey of lithium 2-dimethoxysilyl-2-methylpropanethioate?
The InChIKey is ZCPBDZPHKROXLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O3SSi.Li/c1-6(2,5(7)10)11(8-3)9-4;/h11H,1-4H3,(H,7,10);/q;+1/p-1.
What are the key properties of lithium 2-dimethoxysilyl-2-methylpropanethioate?
lithium 2-dimethoxysilyl-2-methylpropanethioate has a molecular weight of 200.26 g/mol, XLogP of -3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-dimethoxysilyl-2-methylpropanethioate is sourced from PubChem (CID 172859094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).