O-methyl N-(3-triethoxysilylpropyl)carbamothioate

C11H25NO4SSi — CID 87560870

IUPACO-methyl N-(3-triethoxysilylpropyl)carbamothioate
SMILESCCO[Si](CCCNC(=S)OC)(OCC)OCC
InChIInChI=1S/C11H25NO4SSi/c1-5-14-18(15-6-2,16-7-3)10-8-9-12-11(17)13-4/h5-10H2,1-4H3,(H,12,17)
InChIKeyGGYMYSHIUISFQF-UHFFFAOYSA-N
MW295.48 g/mol
LogP1.95
Rot. Bonds10

About O-methyl N-(3-triethoxysilylpropyl)carbamothioate

O-methyl N-(3-triethoxysilylpropyl)carbamothioate (PubChem CID 87560870) has the molecular formula C11H25NO4SSi and a molecular weight of 295.48 g/mol. Its IUPAC name is O-methyl N-(3-triethoxysilylpropyl)carbamothioate.

Molecular Properties

Compound NameO-methyl N-(3-triethoxysilylpropyl)carbamothioate
PubChem CID87560870
Molecular FormulaC11H25NO4SSi
Molecular Weight295.48 g/mol
Exact Mass295.13
IUPAC NameO-methyl N-(3-triethoxysilylpropyl)carbamothioate
SMILESCCO[Si](CCCNC(=S)OC)(OCC)OCC
InChIInChI=1S/C11H25NO4SSi/c1-5-14-18(15-6-2,16-7-3)10-8-9-12-11(17)13-4/h5-10H2,1-4H3,(H,12,17)
InChIKeyGGYMYSHIUISFQF-UHFFFAOYSA-N
XLogP1.95
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-triethoxysilylpropyl)-3-[(3-triethoxysilylpropylcarbamoylamino)carbamothioylamino]urea
CID 102174342
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
O-methyl N-octadecylcarbamothioate
CID 3568843
octyl N-(3-triethoxysilylpropyl)carbamodithioate
CID 20568269
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
methyl (NE)-N-(3-triethoxysilylpropylcarbamoylimino)carbamate
CID 11990678
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615

Frequently Asked Questions

What is the IUPAC name of O-methyl N-(3-triethoxysilylpropyl)carbamothioate?
The IUPAC name of O-methyl N-(3-triethoxysilylpropyl)carbamothioate (CID 87560870) is O-methyl N-(3-triethoxysilylpropyl)carbamothioate.
What is the SMILES notation for O-methyl N-(3-triethoxysilylpropyl)carbamothioate?
The canonical SMILES for O-methyl N-(3-triethoxysilylpropyl)carbamothioate is CCO[Si](CCCNC(=S)OC)(OCC)OCC.
What is the InChIKey of O-methyl N-(3-triethoxysilylpropyl)carbamothioate?
The InChIKey is GGYMYSHIUISFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4SSi/c1-5-14-18(15-6-2,16-7-3)10-8-9-12-11(17)13-4/h5-10H2,1-4H3,(H,12,17).
What are the key properties of O-methyl N-(3-triethoxysilylpropyl)carbamothioate?
O-methyl N-(3-triethoxysilylpropyl)carbamothioate has a molecular weight of 295.48 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-(3-triethoxysilylpropyl)carbamothioate is sourced from PubChem (CID 87560870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).