O-silyl cyclohexanecarbothioate

C7H14OSSi — CID 123833034

IUPACO-silyl cyclohexanecarbothioate
SMILES[SiH3]OC(=S)C1CCCCC1
InChIInChI=1S/C7H14OSSi/c9-7(8-10)6-4-2-1-3-5-6/h6H,1-5H2,10H3
InChIKeyIUTJWLIYQBCQGS-UHFFFAOYSA-N
MW174.34 g/mol
LogP1.19
Rot. Bonds1

About O-silyl cyclohexanecarbothioate

O-silyl cyclohexanecarbothioate (PubChem CID 123833034) has the molecular formula C7H14OSSi and a molecular weight of 174.34 g/mol. Its IUPAC name is O-silyl cyclohexanecarbothioate.

Molecular Properties

Compound NameO-silyl cyclohexanecarbothioate
PubChem CID123833034
Molecular FormulaC7H14OSSi
Molecular Weight174.34 g/mol
Exact Mass174.05
IUPAC NameO-silyl cyclohexanecarbothioate
SMILES[SiH3]OC(=S)C1CCCCC1
InChIInChI=1S/C7H14OSSi/c9-7(8-10)6-4-2-1-3-5-6/h6H,1-5H2,10H3
InChIKeyIUTJWLIYQBCQGS-UHFFFAOYSA-N
XLogP1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-silyl cyclopropanecarbothioate
CID 123202492
1-cyclohexylethanethione
CID 13294348
cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate
CID 59257514
cyclohexanecarbonylphosphanyl(cyclohexyl)methanone
CID 15648411
silyl 2,2,2-tricyclohexylacetate
CID 123833910
silylmethyl cyclohexanecarbodithioate
CID 164971874
cyclooctanecarboperoxoic acid
CID 90238548
1-cyclohexyl-2-dimethoxyphosphorylethanone
CID 13187487
[bromo(cycloheptanecarbonyloxy)gallanyl] cycloheptanecarboxylate
CID 144651116
3-cyclooctyl-3-oxopropanenitrile
CID 15933104
3-cyclodecyl-3-oxopropanenitrile
CID 138502236
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056

Frequently Asked Questions

What is the IUPAC name of O-silyl cyclohexanecarbothioate?
The IUPAC name of O-silyl cyclohexanecarbothioate (CID 123833034) is O-silyl cyclohexanecarbothioate.
What is the SMILES notation for O-silyl cyclohexanecarbothioate?
The canonical SMILES for O-silyl cyclohexanecarbothioate is [SiH3]OC(=S)C1CCCCC1.
What is the InChIKey of O-silyl cyclohexanecarbothioate?
The InChIKey is IUTJWLIYQBCQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSSi/c9-7(8-10)6-4-2-1-3-5-6/h6H,1-5H2,10H3.
What are the key properties of O-silyl cyclohexanecarbothioate?
O-silyl cyclohexanecarbothioate has a molecular weight of 174.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-silyl cyclohexanecarbothioate is sourced from PubChem (CID 123833034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).