CID 164812843

C9H17N2SSi — CID 164812843

IUPAC—
SMILESCCN(CS)/C(C)=C\C(C)=N\C[Si]
InChIInChI=1S/C9H17N2SSi/c1-4-11(7-12)9(3)5-8(2)10-6-13/h5,12H,4,6-7H2,1-3H3/b9-5-,10-8+
InChIKeyDIAIWVSFURBPLT-APQBBXBWSA-N
MW213.40 g/mol
LogP1.69
Rot. Bonds5

About CID 164812843

CID 164812843 (PubChem CID 164812843) has the molecular formula C9H17N2SSi and a molecular weight of 213.40 g/mol.

Molecular Properties

Compound NameCID 164812843
PubChem CID164812843
Molecular FormulaC9H17N2SSi
Molecular Weight213.40 g/mol
Exact Mass213.09
IUPAC Name—
SMILESCCN(CS)/C(C)=C\C(C)=N\C[Si]
InChIInChI=1S/C9H17N2SSi/c1-4-11(7-12)9(3)5-8(2)10-6-13/h5,12H,4,6-7H2,1-3H3/b9-5-,10-8+
InChIKeyDIAIWVSFURBPLT-APQBBXBWSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.40
LogP ≤ 51.69
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 164812843?
The IUPAC name of CID 164812843 (CID 164812843) is not available.
What is the SMILES notation for CID 164812843?
The canonical SMILES for CID 164812843 is CCN(CS)/C(C)=C\C(C)=N\C[Si].
What is the InChIKey of CID 164812843?
The InChIKey is DIAIWVSFURBPLT-APQBBXBWSA-N. The full InChI is InChI=1S/C9H17N2SSi/c1-4-11(7-12)9(3)5-8(2)10-6-13/h5,12H,4,6-7H2,1-3H3/b9-5-,10-8+.
What are the key properties of CID 164812843?
CID 164812843 has a molecular weight of 213.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164812843 is sourced from PubChem (CID 164812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).