1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea

C11H26N2O3S3Si — CID 175176964

IUPAC1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea
SMILESCCCNC(=S)NSCCSCC[Si](OC)(OC)OC
InChIInChI=1S/C11H26N2O3S3Si/c1-5-6-12-11(17)13-19-8-7-18-9-10-20(14-2,15-3)16-4/h5-10H2,1-4H3,(H2,12,13,17)
InChIKeyBQGHEXHGBJQHHW-UHFFFAOYSA-N
MW358.63 g/mol
LogP2.12
Rot. Bonds12

About 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea

1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea (PubChem CID 175176964) has the molecular formula C11H26N2O3S3Si and a molecular weight of 358.63 g/mol. Its IUPAC name is 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea.

Molecular Properties

Compound Name1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea
PubChem CID175176964
Molecular FormulaC11H26N2O3S3Si
Molecular Weight358.63 g/mol
Exact Mass358.09
IUPAC Name1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea
SMILESCCCNC(=S)NSCCSCC[Si](OC)(OC)OC
InChIInChI=1S/C11H26N2O3S3Si/c1-5-6-12-11(17)13-19-8-7-18-9-10-20(14-2,15-3)16-4/h5-10H2,1-4H3,(H2,12,13,17)
InChIKeyBQGHEXHGBJQHHW-UHFFFAOYSA-N
XLogP2.12
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea with MolForge

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

Launch Full Analysis

Related Compounds

CID 162353222
CID 162353222
CID 172717445
CID 172717445
CID 173674786
CID 173674786
CID 175176963
CID 175176963
CID 175189447
CID 175189447
CID 175364363
CID 175364363

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea?
The IUPAC name of 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea (CID 175176964) is 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea.
What is the SMILES notation for 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea?
The canonical SMILES for 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea is CCCNC(=S)NSCCSCC[Si](OC)(OC)OC.
What is the InChIKey of 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea?
The InChIKey is BQGHEXHGBJQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S3Si/c1-5-6-12-11(17)13-19-8-7-18-9-10-20(14-2,15-3)16-4/h5-10H2,1-4H3,(H2,12,13,17).
What are the key properties of 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea?
1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea has a molecular weight of 358.63 g/mol, XLogP of 2.12, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]thiourea is sourced from PubChem (CID 175176964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).