CID 174945061

C15H19SSi — CID 174945061

IUPAC—
SMILESCC1C=c2ccc3c(c2S1)C=CC=3.C[Si](C)C
InChIInChI=1S/C12H10S.C3H9Si/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;1-4(2)3/h2-8H,1H3;1-3H3
InChIKeyYSSCODMIDAYXEU-UHFFFAOYSA-N
MW259.47 g/mol
LogP3.14
Rot. Bonds

About CID 174945061

CID 174945061 (PubChem CID 174945061) has the molecular formula C15H19SSi and a molecular weight of 259.47 g/mol.

Molecular Properties

Compound NameCID 174945061
PubChem CID174945061
Molecular FormulaC15H19SSi
Molecular Weight259.47 g/mol
Exact Mass259.10
IUPAC Name—
SMILESCC1C=c2ccc3c(c2S1)C=CC=3.C[Si](C)C
InChIInChI=1S/C12H10S.C3H9Si/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;1-4(2)3/h2-8H,1H3;1-3H3
InChIKeyYSSCODMIDAYXEU-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.47
LogP ≤ 53.14
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 174945061?
The IUPAC name of CID 174945061 (CID 174945061) is not available.
What is the SMILES notation for CID 174945061?
The canonical SMILES for CID 174945061 is CC1C=c2ccc3c(c2S1)C=CC=3.C[Si](C)C.
What is the InChIKey of CID 174945061?
The InChIKey is YSSCODMIDAYXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.C3H9Si/c1-8-7-10-6-5-9-3-2-4-11(9)12(10)13-8;1-4(2)3/h2-8H,1H3;1-3H3.
What are the key properties of CID 174945061?
CID 174945061 has a molecular weight of 259.47 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174945061 is sourced from PubChem (CID 174945061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).