1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea

C8H20N2O3S2Si — CID 172717445

IUPAC1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea
SMILESCO[Si](CCCNC(=S)NSC)(OC)OC
InChIInChI=1S/C8H20N2O3S2Si/c1-11-16(12-2,13-3)7-5-6-9-8(14)10-15-4/h5-7H2,1-4H3,(H2,9,10,14)
InChIKeyGBBUQLDSDAPFRA-UHFFFAOYSA-N
MW284.48 g/mol
LogP1.00
Rot. Bonds8

About 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea

1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea (PubChem CID 172717445) has the molecular formula C8H20N2O3S2Si and a molecular weight of 284.48 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea.

Molecular Properties

Compound Name1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea
PubChem CID172717445
Molecular FormulaC8H20N2O3S2Si
Molecular Weight284.48 g/mol
Exact Mass284.07
IUPAC Name1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea
SMILESCO[Si](CCCNC(=S)NSC)(OC)OC
InChIInChI=1S/C8H20N2O3S2Si/c1-11-16(12-2,13-3)7-5-6-9-8(14)10-15-4/h5-7H2,1-4H3,(H2,9,10,14)
InChIKeyGBBUQLDSDAPFRA-UHFFFAOYSA-N
XLogP1.00
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea?
The IUPAC name of 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea (CID 172717445) is 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea.
What is the SMILES notation for 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea?
The canonical SMILES for 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea is CO[Si](CCCNC(=S)NSC)(OC)OC.
What is the InChIKey of 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea?
The InChIKey is GBBUQLDSDAPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S2Si/c1-11-16(12-2,13-3)7-5-6-9-8(14)10-15-4/h5-7H2,1-4H3,(H2,9,10,14).
What are the key properties of 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea?
1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea has a molecular weight of 284.48 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(3-trimethoxysilylpropyl)thiourea is sourced from PubChem (CID 172717445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).