2,3,3-trimethyl-1,3-thiasilinane

C7H16SSi — CID 537451

IUPAC2,3,3-trimethyl-1,3-thiasilinane
SMILESCC1SCCC[Si]1(C)C
InChIInChI=1S/C7H16SSi/c1-7-8-5-4-6-9(7,2)3/h7H,4-6H2,1-3H3
InChIKeyNUCGIDCGFCGHCD-UHFFFAOYSA-N
MW160.36 g/mol
LogP2.76
Rot. Bonds

About 2,3,3-trimethyl-1,3-thiasilinane

2,3,3-trimethyl-1,3-thiasilinane (PubChem CID 537451) has the molecular formula C7H16SSi and a molecular weight of 160.36 g/mol. Its IUPAC name is 2,3,3-trimethyl-1,3-thiasilinane.

Molecular Properties

Compound Name2,3,3-trimethyl-1,3-thiasilinane
PubChem CID537451
Molecular FormulaC7H16SSi
Molecular Weight160.36 g/mol
Exact Mass160.07
IUPAC Name2,3,3-trimethyl-1,3-thiasilinane
SMILESCC1SCCC[Si]1(C)C
InChIInChI=1S/C7H16SSi/c1-7-8-5-4-6-9(7,2)3/h7H,4-6H2,1-3H3
InChIKeyNUCGIDCGFCGHCD-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1,3-thiasilinane?
The IUPAC name of 2,3,3-trimethyl-1,3-thiasilinane (CID 537451) is 2,3,3-trimethyl-1,3-thiasilinane.
What is the SMILES notation for 2,3,3-trimethyl-1,3-thiasilinane?
The canonical SMILES for 2,3,3-trimethyl-1,3-thiasilinane is CC1SCCC[Si]1(C)C.
What is the InChIKey of 2,3,3-trimethyl-1,3-thiasilinane?
The InChIKey is NUCGIDCGFCGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16SSi/c1-7-8-5-4-6-9(7,2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2,3,3-trimethyl-1,3-thiasilinane?
2,3,3-trimethyl-1,3-thiasilinane has a molecular weight of 160.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1,3-thiasilinane is sourced from PubChem (CID 537451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).