ethyl(isocyanatosulfanyl)silane

C3H7NOSSi — CID 162050970

IUPACethyl(isocyanatosulfanyl)silane
SMILESCC[SiH2]SN=C=O
InChIInChI=1S/C3H7NOSSi/c1-2-7-6-4-3-5/h2,7H2,1H3
InChIKeyYYNRDZYUOJTJJH-UHFFFAOYSA-N
MW133.25 g/mol
LogP0.49
Rot. Bonds3

About ethyl(isocyanatosulfanyl)silane

ethyl(isocyanatosulfanyl)silane (PubChem CID 162050970) has the molecular formula C3H7NOSSi and a molecular weight of 133.25 g/mol. Its IUPAC name is ethyl(isocyanatosulfanyl)silane.

Molecular Properties

Compound Nameethyl(isocyanatosulfanyl)silane
PubChem CID162050970
Molecular FormulaC3H7NOSSi
Molecular Weight133.25 g/mol
Exact Mass133.00
IUPAC Nameethyl(isocyanatosulfanyl)silane
SMILESCC[SiH2]SN=C=O
InChIInChI=1S/C3H7NOSSi/c1-2-7-6-4-3-5/h2,7H2,1H3
InChIKeyYYNRDZYUOJTJJH-UHFFFAOYSA-N
XLogP0.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.25
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl(isocyanatosulfanyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl(isocyanatosulfanyl)silane?
The IUPAC name of ethyl(isocyanatosulfanyl)silane (CID 162050970) is ethyl(isocyanatosulfanyl)silane.
What is the SMILES notation for ethyl(isocyanatosulfanyl)silane?
The canonical SMILES for ethyl(isocyanatosulfanyl)silane is CC[SiH2]SN=C=O.
What is the InChIKey of ethyl(isocyanatosulfanyl)silane?
The InChIKey is YYNRDZYUOJTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOSSi/c1-2-7-6-4-3-5/h2,7H2,1H3.
What are the key properties of ethyl(isocyanatosulfanyl)silane?
ethyl(isocyanatosulfanyl)silane has a molecular weight of 133.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(isocyanatosulfanyl)silane is sourced from PubChem (CID 162050970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).