1-benzothiophen-3-ylmethyl(trimethyl)silane

C12H16SSi — CID 138968517

IUPAC1-benzothiophen-3-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)Cc1csc2ccccc12
InChIInChI=1S/C12H16SSi/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12/h4-8H,9H2,1-3H3
InChIKeyDNSVHMBGHVSXIY-UHFFFAOYSA-N
MW220.41 g/mol
LogP4.32
Rot. Bonds2

About 1-benzothiophen-3-ylmethyl(trimethyl)silane

1-benzothiophen-3-ylmethyl(trimethyl)silane (PubChem CID 138968517) has the molecular formula C12H16SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is 1-benzothiophen-3-ylmethyl(trimethyl)silane.

Molecular Properties

Compound Name1-benzothiophen-3-ylmethyl(trimethyl)silane
PubChem CID138968517
Molecular FormulaC12H16SSi
Molecular Weight220.41 g/mol
Exact Mass220.07
IUPAC Name1-benzothiophen-3-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)Cc1csc2ccccc12
InChIInChI=1S/C12H16SSi/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12/h4-8H,9H2,1-3H3
InChIKeyDNSVHMBGHVSXIY-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 54.32
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 1-benzothiophen-3-ylmethyl(trimethyl)silane?
The IUPAC name of 1-benzothiophen-3-ylmethyl(trimethyl)silane (CID 138968517) is 1-benzothiophen-3-ylmethyl(trimethyl)silane.
What is the SMILES notation for 1-benzothiophen-3-ylmethyl(trimethyl)silane?
The canonical SMILES for 1-benzothiophen-3-ylmethyl(trimethyl)silane is C[Si](C)(C)Cc1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-ylmethyl(trimethyl)silane?
The InChIKey is DNSVHMBGHVSXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16SSi/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12/h4-8H,9H2,1-3H3.
What are the key properties of 1-benzothiophen-3-ylmethyl(trimethyl)silane?
1-benzothiophen-3-ylmethyl(trimethyl)silane has a molecular weight of 220.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylmethyl(trimethyl)silane is sourced from PubChem (CID 138968517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).