silylmethyl cyclohexanecarbodithioate

C8H16S2Si — CID 164971874

IUPACsilylmethyl cyclohexanecarbodithioate
SMILES[SiH3]CSC(=S)C1CCCCC1
InChIInChI=1S/C8H16S2Si/c9-8(10-6-11)7-4-2-1-3-5-7/h7H,1-6H2,11H3
InChIKeyMTJORKCKTFDARG-UHFFFAOYSA-N
MW204.44 g/mol
LogP1.95
Rot. Bonds2

About silylmethyl cyclohexanecarbodithioate

silylmethyl cyclohexanecarbodithioate (PubChem CID 164971874) has the molecular formula C8H16S2Si and a molecular weight of 204.44 g/mol. Its IUPAC name is silylmethyl cyclohexanecarbodithioate.

Molecular Properties

Compound Namesilylmethyl cyclohexanecarbodithioate
PubChem CID164971874
Molecular FormulaC8H16S2Si
Molecular Weight204.44 g/mol
Exact Mass204.05
IUPAC Namesilylmethyl cyclohexanecarbodithioate
SMILES[SiH3]CSC(=S)C1CCCCC1
InChIInChI=1S/C8H16S2Si/c9-8(10-6-11)7-4-2-1-3-5-7/h7H,1-6H2,11H3
InChIKeyMTJORKCKTFDARG-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.44
LogP ≤ 51.95
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

cyclohexanecarbothioylsulfanyl cyclohexanecarbodithioate
CID 59257514
O-silyl cyclohexanecarbothioate
CID 123833034
1-cyclohexylethanethione
CID 13294348
CID 140659203
CID 140659203
S-(2-sulfanylethyl) cyclohexanecarbothioate
CID 156524567
1-cycloheptylbutan-1-one
CID 54353743
1-cyclohexyl-2-(cyclopentylmethylsulfanyl)ethanone
CID 104752304
3-bromoprop-1-en-2-ylcyclopentane
CID 66872337
1,2,2-tricyclohexylethenylphosphanium bromide
CID 160745709
1-cyclohexyl-2-dimethoxyphosphorylethanone
CID 13187487
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
1-cycloheptyl-3,3,3-trifluoropropan-1-one
CID 82932563

Frequently Asked Questions

What is the IUPAC name of silylmethyl cyclohexanecarbodithioate?
The IUPAC name of silylmethyl cyclohexanecarbodithioate (CID 164971874) is silylmethyl cyclohexanecarbodithioate.
What is the SMILES notation for silylmethyl cyclohexanecarbodithioate?
The canonical SMILES for silylmethyl cyclohexanecarbodithioate is [SiH3]CSC(=S)C1CCCCC1.
What is the InChIKey of silylmethyl cyclohexanecarbodithioate?
The InChIKey is MTJORKCKTFDARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2Si/c9-8(10-6-11)7-4-2-1-3-5-7/h7H,1-6H2,11H3.
What are the key properties of silylmethyl cyclohexanecarbodithioate?
silylmethyl cyclohexanecarbodithioate has a molecular weight of 204.44 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silylmethyl cyclohexanecarbodithioate is sourced from PubChem (CID 164971874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).