CID 174906867

C15H31NOS5Si — CID 174906867

IUPAC—
SMILESCCCCC[Si]c1cccc2sc(CCC)nc12.O.S.S.S.S
InChIInChI=1S/C15H21NSSi.H2O.4H2S/c1-3-5-6-11-18-13-10-7-9-12-15(13)16-14(17-12)8-4-2;;;;;/h7,9-10H,3-6,8,11H2,1-2H3;5*1H2
InChIKeyPECLTKZFWHWDMY-UHFFFAOYSA-N
MW429.84 g/mol
LogP3.81
Rot. Bonds7

About CID 174906867

CID 174906867 (PubChem CID 174906867) has the molecular formula C15H31NOS5Si and a molecular weight of 429.84 g/mol.

Molecular Properties

Compound NameCID 174906867
PubChem CID174906867
Molecular FormulaC15H31NOS5Si
Molecular Weight429.84 g/mol
Exact Mass429.08
IUPAC Name—
SMILESCCCCC[Si]c1cccc2sc(CCC)nc12.O.S.S.S.S
InChIInChI=1S/C15H21NSSi.H2O.4H2S/c1-3-5-6-11-18-13-10-7-9-12-15(13)16-14(17-12)8-4-2;;;;;/h7,9-10H,3-6,8,11H2,1-2H3;5*1H2
InChIKeyPECLTKZFWHWDMY-UHFFFAOYSA-N
XLogP3.81
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174906867?
The IUPAC name of CID 174906867 (CID 174906867) is not available.
What is the SMILES notation for CID 174906867?
The canonical SMILES for CID 174906867 is CCCCC[Si]c1cccc2sc(CCC)nc12.O.S.S.S.S.
What is the InChIKey of CID 174906867?
The InChIKey is PECLTKZFWHWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NSSi.H2O.4H2S/c1-3-5-6-11-18-13-10-7-9-12-15(13)16-14(17-12)8-4-2;;;;;/h7,9-10H,3-6,8,11H2,1-2H3;5*1H2.
What are the key properties of CID 174906867?
CID 174906867 has a molecular weight of 429.84 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174906867 is sourced from PubChem (CID 174906867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).