CID 162375379

C12H11N2SSi — CID 162375379

IUPAC—
SMILESC[C@]1(C#C[Si])CCCc2sc(N)c(C#N)c21
InChIInChI=1S/C12H11N2SSi/c1-12(5-6-16)4-2-3-9-10(12)8(7-13)11(14)15-9/h2-4,14H2,1H3/t12-/m1/s1
InChIKeyLGYMOJBIQKIWJF-GFCCVEGCSA-N
MW243.39 g/mol
LogP1.93
Rot. Bonds

About CID 162375379

CID 162375379 (PubChem CID 162375379) has the molecular formula C12H11N2SSi and a molecular weight of 243.39 g/mol.

Molecular Properties

Compound NameCID 162375379
PubChem CID162375379
Molecular FormulaC12H11N2SSi
Molecular Weight243.39 g/mol
Exact Mass243.04
IUPAC Name—
SMILESC[C@]1(C#C[Si])CCCc2sc(N)c(C#N)c21
InChIInChI=1S/C12H11N2SSi/c1-12(5-6-16)4-2-3-9-10(12)8(7-13)11(14)15-9/h2-4,14H2,1H3/t12-/m1/s1
InChIKeyLGYMOJBIQKIWJF-GFCCVEGCSA-N
XLogP1.93
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162375379?
The IUPAC name of CID 162375379 (CID 162375379) is not available.
What is the SMILES notation for CID 162375379?
The canonical SMILES for CID 162375379 is C[C@]1(C#C[Si])CCCc2sc(N)c(C#N)c21.
What is the InChIKey of CID 162375379?
The InChIKey is LGYMOJBIQKIWJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11N2SSi/c1-12(5-6-16)4-2-3-9-10(12)8(7-13)11(14)15-9/h2-4,14H2,1H3/t12-/m1/s1.
What are the key properties of CID 162375379?
CID 162375379 has a molecular weight of 243.39 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162375379 is sourced from PubChem (CID 162375379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).