2-dimethylsilylethanethiol

C4H12SSi — CID 152519229

IUPAC2-dimethylsilylethanethiol
SMILESC[SiH](C)CCS
InChIInChI=1S/C4H12SSi/c1-6(2)4-3-5/h5-6H,3-4H2,1-2H3
InChIKeyYHEGFRBRXVLPIT-UHFFFAOYSA-N
MW120.29 g/mol
LogP1.40
Rot. Bonds2

About 2-dimethylsilylethanethiol

2-dimethylsilylethanethiol (PubChem CID 152519229) has the molecular formula C4H12SSi and a molecular weight of 120.29 g/mol. Its IUPAC name is 2-dimethylsilylethanethiol.

Molecular Properties

Compound Name2-dimethylsilylethanethiol
PubChem CID152519229
Molecular FormulaC4H12SSi
Molecular Weight120.29 g/mol
Exact Mass120.04
IUPAC Name2-dimethylsilylethanethiol
SMILESC[SiH](C)CCS
InChIInChI=1S/C4H12SSi/c1-6(2)4-3-5/h5-6H,3-4H2,1-2H3
InChIKeyYHEGFRBRXVLPIT-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilylethanethiol?
The IUPAC name of 2-dimethylsilylethanethiol (CID 152519229) is 2-dimethylsilylethanethiol.
What is the SMILES notation for 2-dimethylsilylethanethiol?
The canonical SMILES for 2-dimethylsilylethanethiol is C[SiH](C)CCS.
What is the InChIKey of 2-dimethylsilylethanethiol?
The InChIKey is YHEGFRBRXVLPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12SSi/c1-6(2)4-3-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-dimethylsilylethanethiol?
2-dimethylsilylethanethiol has a molecular weight of 120.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilylethanethiol is sourced from PubChem (CID 152519229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).