2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile

C10H14BrNOSSi — CID 102842223

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile
SMILESCc1sc(C(C#N)O[Si](C)(C)C)cc1Br
InChIInChI=1S/C10H14BrNOSSi/c1-7-8(11)5-10(14-7)9(6-12)13-15(2,3)4/h5,9H,1-4H3
InChIKeyKEVSWNOPDMZABE-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile

2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 102842223) has the molecular formula C10H14BrNOSSi and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID102842223
Molecular FormulaC10H14BrNOSSi
Molecular Weight304.29 g/mol
Exact Mass302.97
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile
SMILESCc1sc(C(C#N)O[Si](C)(C)C)cc1Br
InChIInChI=1S/C10H14BrNOSSi/c1-7-8(11)5-10(14-7)9(6-12)13-15(2,3)4/h5,9H,1-4H3
InChIKeyKEVSWNOPDMZABE-UHFFFAOYSA-N
XLogP4.24
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyacetonitrile
CID 102845241
2-(4-bromo-5-methylthiophen-2-yl)-2-chloroacetonitrile
CID 102843700
2-(4-bromo-5-methylthiophen-2-yl)-2-(dimethylamino)acetonitrile
CID 102843213
2-(4-bromo-5-methylthiophen-2-yl)-2-piperidin-1-ylacetonitrile
CID 102843232
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
2-(4-bromo-5-methylthiophen-2-yl)-2-piperazin-1-ylacetonitrile
CID 102840088
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2-(2-methyl-1,3-thiazol-4-yl)-2-trimethylsilyloxyacetonitrile
CID 70818252
2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methylanilino)acetonitrile
CID 102840148
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
2-(3-bromo-4-chloroanilino)-2-(4-bromo-5-methylthiophen-2-yl)acetonitrile
CID 102840453
2-(4-bromo-5-methylthiophen-2-yl)-2-(2-chloroanilino)acetonitrile
CID 102840176

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile (CID 102842223) is 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile is Cc1sc(C(C#N)O[Si](C)(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is KEVSWNOPDMZABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOSSi/c1-7-8(11)5-10(14-7)9(6-12)13-15(2,3)4/h5,9H,1-4H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile?
2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 304.29 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 102842223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).