dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane

C12H24S4Si — CID 139986636

IUPACdimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane
SMILESC[Si](C)(CCSCC1CS1)CCSCC1CS1
InChIInChI=1S/C12H24S4Si/c1-17(2,5-3-13-7-11-9-15-11)6-4-14-8-12-10-16-12/h11-12H,3-10H2,1-2H3
InChIKeyMGOLNMUYWDBMBA-UHFFFAOYSA-N
MW324.68 g/mol
LogP4.39
Rot. Bonds10

About dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane

dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane (PubChem CID 139986636) has the molecular formula C12H24S4Si and a molecular weight of 324.68 g/mol. Its IUPAC name is dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane.

Molecular Properties

Compound Namedimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane
PubChem CID139986636
Molecular FormulaC12H24S4Si
Molecular Weight324.68 g/mol
Exact Mass324.05
IUPAC Namedimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane
SMILESC[Si](C)(CCSCC1CS1)CCSCC1CS1
InChIInChI=1S/C12H24S4Si/c1-17(2,5-3-13-7-11-9-15-11)6-4-14-8-12-10-16-12/h11-12H,3-10H2,1-2H3
InChIKeyMGOLNMUYWDBMBA-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[2-(cyclopropylmethylsulfanyl)ethyl]-1,4-dithiane;2,5-bis[2-(cyclopropylmethylsulfanyl)ethylsulfanylmethyl]-1,4-dithiane
CID 91512059
2-(tert-butylsulfanylmethyl)-5-[3-[(2-methylpropan-2-yl)oxy]propylsulfanylmethyl]-1,4-dithiane
CID 90306671
[6-[2-[2-[[5-(sulfanylmethyl)-1,4-dithian-2-yl]methylsulfanyl]ethylsulfanyl]ethylsulfanylmethyl]-1,4-dithian-2-yl]methanethiol
CID 59110868
4,5-bis(thiiran-2-ylmethyldisulfanyl)-1,3-dithiolane
CID 71416070
2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
CID 122441293
diethyl-bis(thiiran-2-ylmethylsulfanyl)germane
CID 139986625
2-[1-[1-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]thiirane
CID 166746476
2-(pent-3-yn-2-ylsulfanylmethyl)thiirane
CID 129164316
diethoxy-sulfanylidene-(thiiran-2-ylmethylsulfanyl)-λ5-phosphane
CID 11043454
3-[3-sulfanyl-4-(thiiran-2-yl)-1-(thiiran-2-ylmethylsulfanyl)butan-2-yl]sulfanyl-1,6-bis(thiiran-2-yl)-4-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanyl]hexane-2,5-dithiol
CID 57243214
[5-[[[5-(sulfanylmethyl)-1,4-dithian-2-yl]methyldisulfanyl]methyl]-1,4-dithian-2-yl]methanethiol
CID 57056579
2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane
CID 71416065

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane?
The IUPAC name of dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane (CID 139986636) is dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane.
What is the SMILES notation for dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane?
The canonical SMILES for dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane is C[Si](C)(CCSCC1CS1)CCSCC1CS1.
What is the InChIKey of dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane?
The InChIKey is MGOLNMUYWDBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S4Si/c1-17(2,5-3-13-7-11-9-15-11)6-4-14-8-12-10-16-12/h11-12H,3-10H2,1-2H3.
What are the key properties of dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane?
dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane has a molecular weight of 324.68 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2-(thiiran-2-ylmethylsulfanyl)ethyl]silane is sourced from PubChem (CID 139986636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).