silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate

C47H98S16Si8 — CID 165006010

IUPACsilylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate
SMILESCC(=S)SC[SiH3].CC(C)(C)C(=S)SC[SiH3].CC(C)C(=S)SC[SiH3].CCC(=S)SC[SiH3].CCC(C)C(=S)SC[SiH3].[SiH3]CSC(=S)C1CCCC1.[SiH3]CSC(=S)C1CCCCC1.[SiH3]CSC(=S)c1ccccc1
InChIInChI=1S/C8H16S2Si.C8H10S2Si.C7H14S2Si.2C6H14S2Si.C5H12S2Si.C4H10S2Si.C3H8S2Si/c2*9-8(10-6-11)7-4-2-1-3-5-7;8-7(9-5-10)6-3-1-2-4-6;1-6(2,3)5(7)8-4-9;1-3-5(2)6(7)8-4-9;1-4(2)5(6)7-3-8;1-2-4(5)6-3-7;1-3(4)5-2-6/h7H,1-6H2,11H3;1-5H,6H2,11H3;6H,1-5H2,10H3;4H2,1-3,9H3;5H,3-4H2,1-2,9H3;4H,3H2,1-2,8H3;2-3H2,1,7H3;2H2,1,6H3
InChIKeyIYXGRAKCXJVSSE-UHFFFAOYSA-N
MW1401.06 g/mol
LogP9.96
Rot. Bonds15

About silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate

silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate (PubChem CID 165006010) has the molecular formula C47H98S16Si8 and a molecular weight of 1401.06 g/mol. Its IUPAC name is silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate.

Molecular Properties

Compound Namesilylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate
PubChem CID165006010
Molecular FormulaC47H98S16Si8
Molecular Weight1401.06 g/mol
Exact Mass1398.14
IUPAC Namesilylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate
SMILESCC(=S)SC[SiH3].CC(C)(C)C(=S)SC[SiH3].CC(C)C(=S)SC[SiH3].CCC(=S)SC[SiH3].CCC(C)C(=S)SC[SiH3].[SiH3]CSC(=S)C1CCCC1.[SiH3]CSC(=S)C1CCCCC1.[SiH3]CSC(=S)c1ccccc1
InChIInChI=1S/C8H16S2Si.C8H10S2Si.C7H14S2Si.2C6H14S2Si.C5H12S2Si.C4H10S2Si.C3H8S2Si/c2*9-8(10-6-11)7-4-2-1-3-5-7;8-7(9-5-10)6-3-1-2-4-6;1-6(2,3)5(7)8-4-9;1-3-5(2)6(7)8-4-9;1-4(2)5(6)7-3-8;1-2-4(5)6-3-7;1-3(4)5-2-6/h7H,1-6H2,11H3;1-5H,6H2,11H3;6H,1-5H2,10H3;4H2,1-3,9H3;5H,3-4H2,1-2,9H3;4H,3H2,1-2,8H3;2-3H2,1,7H3;2H2,1,6H3
InChIKeyIYXGRAKCXJVSSE-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.06
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate with MolForge

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Related Compounds

silylmethyl cyclohexanecarbodithioate
CID 164971874
1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate
CID 165068596
(2S)-1-[(2S)-3-(benzenecarbonothioylsulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 12945202
ethyl benzenecarbodithioate
CID 578579
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
[cyclohexyl(phenyl)methylidene]hafnium(2+)
CID 159740284
butyl benzenecarbodithioate
CID 578502
N-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
cyclopentyl(phenyl)methanethione
CID 91757146
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
CID 146332068

Frequently Asked Questions

What is the IUPAC name of silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate?
The IUPAC name of silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate (CID 165006010) is silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate.
What is the SMILES notation for silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate?
The canonical SMILES for silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate is CC(=S)SC[SiH3].CC(C)(C)C(=S)SC[SiH3].CC(C)C(=S)SC[SiH3].CCC(=S)SC[SiH3].CCC(C)C(=S)SC[SiH3].[SiH3]CSC(=S)C1CCCC1.[SiH3]CSC(=S)C1CCCCC1.[SiH3]CSC(=S)c1ccccc1.
What is the InChIKey of silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate?
The InChIKey is IYXGRAKCXJVSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2Si.C8H10S2Si.C7H14S2Si.2C6H14S2Si.C5H12S2Si.C4H10S2Si.C3H8S2Si/c2*9-8(10-6-11)7-4-2-1-3-5-7;8-7(9-5-10)6-3-1-2-4-6;1-6(2,3)5(7)8-4-9;1-3-5(2)6(7)8-4-9;1-4(2)5(6)7-3-8;1-2-4(5)6-3-7;1-3(4)5-2-6/h7H,1-6H2,11H3;1-5H,6H2,11H3;6H,1-5H2,10H3;4H2,1-3,9H3;5H,3-4H2,1-2,9H3;4H,3H2,1-2,8H3;2-3H2,1,7H3;2H2,1,6H3.
What are the key properties of silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate?
silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate has a molecular weight of 1401.06 g/mol, XLogP of 9.96, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate is sourced from PubChem (CID 165006010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).