S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate

C10H23NO5SSi — CID 155628473

IUPACS-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate
SMILESCOCCSC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H23NO5SSi/c1-13-7-8-17-10(12)11-6-5-9-18(14-2,15-3)16-4/h5-9H2,1-4H3,(H,11,12)
InChIKeyOQEZSNWOSVOMOE-UHFFFAOYSA-N
MW297.45 g/mol
LogP1.34
Rot. Bonds10

About S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate

S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate (PubChem CID 155628473) has the molecular formula C10H23NO5SSi and a molecular weight of 297.45 g/mol. Its IUPAC name is S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate.

Molecular Properties

Compound NameS-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate
PubChem CID155628473
Molecular FormulaC10H23NO5SSi
Molecular Weight297.45 g/mol
Exact Mass297.11
IUPAC NameS-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate
SMILESCOCCSC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H23NO5SSi/c1-13-7-8-17-10(12)11-6-5-9-18(14-2,15-3)16-4/h5-9H2,1-4H3,(H,11,12)
InChIKeyOQEZSNWOSVOMOE-UHFFFAOYSA-N
XLogP1.34
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
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': 'thioester', 'substructure': 'N/A'}

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Related Compounds

S-(3-trimethoxysilylpropyl) N-(3-triethoxysilylpropyl)carbamothioate
CID 58004922
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
[2-[[2,2-bis(3-sulfanylpropanoyloxymethyl)-3-[3-(3-trimethoxysilylpropylcarbamoylsulfanyl)propanoyloxy]propoxy]methyl]-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
CID 140661206
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
4-trimethoxysilylbutylcarbamic acid
CID 18755644
1-[2-(methylamino)ethyl]-3-(3-trimethoxysilylpropyl)urea
CID 58846540
3-methylsulfanyl-N-[2-(3-trimethoxysilylpropylcarbamoylamino)ethyl]propanamide
CID 58903441
S-[2-[2-(2-sulfanylethoxy)ethoxy]ethyl] N-[6-[2-[2-(2-sulfanylethoxy)ethoxy]ethylsulfanylcarbonylamino]hexyl]carbamothioate
CID 139241416
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
S-[(5-amino-4H-pyrazol-3-yl)] N-(3-trimethoxysilylpropyl)carbamothioate
CID 165008256

Frequently Asked Questions

What is the IUPAC name of S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate?
The IUPAC name of S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate (CID 155628473) is S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate.
What is the SMILES notation for S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate?
The canonical SMILES for S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate is COCCSC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate?
The InChIKey is OQEZSNWOSVOMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO5SSi/c1-13-7-8-17-10(12)11-6-5-9-18(14-2,15-3)16-4/h5-9H2,1-4H3,(H,11,12).
What are the key properties of S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate?
S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate has a molecular weight of 297.45 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methoxyethyl) N-(3-trimethoxysilylpropyl)carbamothioate is sourced from PubChem (CID 155628473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).