3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea

C11H26N2O3S3Si — CID 175176963

IUPAC3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea
SMILESCO[Si](CCSCCSCCCNC(N)=S)(OC)OC
InChIInChI=1S/C11H26N2O3S3Si/c1-14-20(15-2,16-3)10-9-19-8-7-18-6-4-5-13-11(12)17/h4-10H2,1-3H3,(H3,12,13,17)
InChIKeyMMVQKXRQKKGSBV-UHFFFAOYSA-N
MW358.63 g/mol
LogP1.55
Rot. Bonds13

About 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea

3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea (PubChem CID 175176963) has the molecular formula C11H26N2O3S3Si and a molecular weight of 358.63 g/mol. Its IUPAC name is 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea.

Molecular Properties

Compound Name3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea
PubChem CID175176963
Molecular FormulaC11H26N2O3S3Si
Molecular Weight358.63 g/mol
Exact Mass358.09
IUPAC Name3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea
SMILESCO[Si](CCSCCSCCCNC(N)=S)(OC)OC
InChIInChI=1S/C11H26N2O3S3Si/c1-14-20(15-2,16-3)10-9-19-8-7-18-6-4-5-13-11(12)17/h4-10H2,1-3H3,(H3,12,13,17)
InChIKeyMMVQKXRQKKGSBV-UHFFFAOYSA-N
XLogP1.55
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 51.55
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea?
The IUPAC name of 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea (CID 175176963) is 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea.
What is the SMILES notation for 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea?
The canonical SMILES for 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea is CO[Si](CCSCCSCCCNC(N)=S)(OC)OC.
What is the InChIKey of 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea?
The InChIKey is MMVQKXRQKKGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S3Si/c1-14-20(15-2,16-3)10-9-19-8-7-18-6-4-5-13-11(12)17/h4-10H2,1-3H3,(H3,12,13,17).
What are the key properties of 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea?
3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea has a molecular weight of 358.63 g/mol, XLogP of 1.55, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-trimethoxysilylethylsulfanyl)ethylsulfanyl]propylthiourea is sourced from PubChem (CID 175176963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).