CID 161072106

C17H14SSi — CID 161072106

IUPAC—
SMILES[Si].c1ccc2c(c1)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C13H10.C4H4S.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-8H,9H2;1-4H;
InChIKeyUEUHFFUVYBHTTH-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.63
Rot. Bonds

About CID 161072106

CID 161072106 (PubChem CID 161072106) has the molecular formula C17H14SSi and a molecular weight of 278.45 g/mol.

Molecular Properties

Compound NameCID 161072106
PubChem CID161072106
Molecular FormulaC17H14SSi
Molecular Weight278.45 g/mol
Exact Mass278.06
IUPAC Name—
SMILES[Si].c1ccc2c(c1)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C13H10.C4H4S.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-8H,9H2;1-4H;
InChIKeyUEUHFFUVYBHTTH-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.63
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 CID 161072106?
The IUPAC name of CID 161072106 (CID 161072106) is not available.
What is the SMILES notation for CID 161072106?
The canonical SMILES for CID 161072106 is [Si].c1ccc2c(c1)Cc1ccccc1-2.c1ccsc1.
What is the InChIKey of CID 161072106?
The InChIKey is UEUHFFUVYBHTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H4S.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;/h1-8H,9H2;1-4H;.
What are the key properties of CID 161072106?
CID 161072106 has a molecular weight of 278.45 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161072106 is sourced from PubChem (CID 161072106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).