CID 174709455

C17H12N2S2Si — CID 174709455

IUPAC—
SMILES[Si].c1cc2snnc2s1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C4H2N2S2.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-4-3(1)8-6-5-4;/h1-8H,9H2;1-2H;
InChIKeyWTYCWEUMRTVZNF-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.63
Rot. Bonds

About CID 174709455

CID 174709455 (PubChem CID 174709455) has the molecular formula C17H12N2S2Si and a molecular weight of 336.52 g/mol.

Molecular Properties

Compound NameCID 174709455
PubChem CID174709455
Molecular FormulaC17H12N2S2Si
Molecular Weight336.52 g/mol
Exact Mass336.02
IUPAC Name—
SMILES[Si].c1cc2snnc2s1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C4H2N2S2.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-4-3(1)8-6-5-4;/h1-8H,9H2;1-2H;
InChIKeyWTYCWEUMRTVZNF-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174658463
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CID 174352852
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CID 161235205
9H-fluorene;oxophosphane
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9H-fluorene;oxozirconium
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Frequently Asked Questions

What is the IUPAC name of CID 174709455?
The IUPAC name of CID 174709455 (CID 174709455) is not available.
What is the SMILES notation for CID 174709455?
The canonical SMILES for CID 174709455 is [Si].c1cc2snnc2s1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of CID 174709455?
The InChIKey is WTYCWEUMRTVZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H2N2S2.Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-4-3(1)8-6-5-4;/h1-8H,9H2;1-2H;.
What are the key properties of CID 174709455?
CID 174709455 has a molecular weight of 336.52 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174709455 is sourced from PubChem (CID 174709455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).