CID 164812877

C8H15N2SSi — CID 164812877

IUPAC—
SMILESC/C(=C/C(C)=N/C[Si])N(C)CS
InChIInChI=1S/C8H15N2SSi/c1-7(9-5-12)4-8(2)10(3)6-11/h4,11H,5-6H2,1-3H3/b8-4-,9-7+
InChIKeyNUHXOENTJDLKFB-FBFSCSHHSA-N
MW199.37 g/mol
LogP1.30
Rot. Bonds4

About CID 164812877

CID 164812877 (PubChem CID 164812877) has the molecular formula C8H15N2SSi and a molecular weight of 199.37 g/mol.

Molecular Properties

Compound NameCID 164812877
PubChem CID164812877
Molecular FormulaC8H15N2SSi
Molecular Weight199.37 g/mol
Exact Mass199.07
IUPAC Name—
SMILESC/C(=C/C(C)=N/C[Si])N(C)CS
InChIInChI=1S/C8H15N2SSi/c1-7(9-5-12)4-8(2)10(3)6-11/h4,11H,5-6H2,1-3H3/b8-4-,9-7+
InChIKeyNUHXOENTJDLKFB-FBFSCSHHSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164812877?
The IUPAC name of CID 164812877 (CID 164812877) is not available.
What is the SMILES notation for CID 164812877?
The canonical SMILES for CID 164812877 is C/C(=C/C(C)=N/C[Si])N(C)CS.
What is the InChIKey of CID 164812877?
The InChIKey is NUHXOENTJDLKFB-FBFSCSHHSA-N. The full InChI is InChI=1S/C8H15N2SSi/c1-7(9-5-12)4-8(2)10(3)6-11/h4,11H,5-6H2,1-3H3/b8-4-,9-7+.
What are the key properties of CID 164812877?
CID 164812877 has a molecular weight of 199.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164812877 is sourced from PubChem (CID 164812877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).