2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile

C9H12ClNOSSi — CID 131052691

IUPAC2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccsc1Cl
InChIInChI=1S/C9H12ClNOSSi/c1-14(2,3)12-8(6-11)7-4-5-13-9(7)10/h4-5,8H,1-3H3
InChIKeySSPKSWAEAJYTLL-UHFFFAOYSA-N
MW245.81 g/mol
LogP3.82
Rot. Bonds3

About 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile

2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 131052691) has the molecular formula C9H12ClNOSSi and a molecular weight of 245.81 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID131052691
Molecular FormulaC9H12ClNOSSi
Molecular Weight245.81 g/mol
Exact Mass245.01
IUPAC Name2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccsc1Cl
InChIInChI=1S/C9H12ClNOSSi/c1-14(2,3)12-8(6-11)7-4-5-13-9(7)10/h4-5,8H,1-3H3
InChIKeySSPKSWAEAJYTLL-UHFFFAOYSA-N
XLogP3.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile (CID 131052691) is 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is SSPKSWAEAJYTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOSSi/c1-14(2,3)12-8(6-11)7-4-5-13-9(7)10/h4-5,8H,1-3H3.
What are the key properties of 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile?
2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 245.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 131052691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).