CID 59696855

C7H11NOS2Si — CID 59696855

IUPAC—
SMILESC[Si]CCCN1C(=O)CSC1=S
InChIInChI=1S/C7H11NOS2Si/c1-12-4-2-3-8-6(9)5-11-7(8)10/h2-5H2,1H3
InChIKeyRYQWUCZQTGHIHE-UHFFFAOYSA-N
MW217.39 g/mol
LogP1.41
Rot. Bonds4

About CID 59696855

CID 59696855 (PubChem CID 59696855) has the molecular formula C7H11NOS2Si and a molecular weight of 217.39 g/mol.

Molecular Properties

Compound NameCID 59696855
PubChem CID59696855
Molecular FormulaC7H11NOS2Si
Molecular Weight217.39 g/mol
Exact Mass217.01
IUPAC Name—
SMILESC[Si]CCCN1C(=O)CSC1=S
InChIInChI=1S/C7H11NOS2Si/c1-12-4-2-3-8-6(9)5-11-7(8)10/h2-5H2,1H3
InChIKeyRYQWUCZQTGHIHE-UHFFFAOYSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59696855?
The IUPAC name of CID 59696855 (CID 59696855) is not available.
What is the SMILES notation for CID 59696855?
The canonical SMILES for CID 59696855 is C[Si]CCCN1C(=O)CSC1=S.
What is the InChIKey of CID 59696855?
The InChIKey is RYQWUCZQTGHIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS2Si/c1-12-4-2-3-8-6(9)5-11-7(8)10/h2-5H2,1H3.
What are the key properties of CID 59696855?
CID 59696855 has a molecular weight of 217.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59696855 is sourced from PubChem (CID 59696855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).