1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea

C10H24N2O3S2Si — CID 175364363

IUPAC1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea
SMILESCCCNC(=S)NSCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H24N2O3S2Si/c1-5-7-11-10(16)12-17-8-6-9-18(13-2,14-3)15-4/h5-9H2,1-4H3,(H2,11,12,16)
InChIKeyGIBYIIQYTSBIQS-UHFFFAOYSA-N
MW312.53 g/mol
LogP1.78
Rot. Bonds10

About 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea

1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea (PubChem CID 175364363) has the molecular formula C10H24N2O3S2Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea.

Molecular Properties

Compound Name1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea
PubChem CID175364363
Molecular FormulaC10H24N2O3S2Si
Molecular Weight312.53 g/mol
Exact Mass312.10
IUPAC Name1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea
SMILESCCCNC(=S)NSCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H24N2O3S2Si/c1-5-7-11-10(16)12-17-8-6-9-18(13-2,14-3)15-4/h5-9H2,1-4H3,(H2,11,12,16)
InChIKeyGIBYIIQYTSBIQS-UHFFFAOYSA-N
XLogP1.78
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 51.78
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-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea?
The IUPAC name of 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea (CID 175364363) is 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea.
What is the SMILES notation for 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea?
The canonical SMILES for 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea is CCCNC(=S)NSCCC[Si](OC)(OC)OC.
What is the InChIKey of 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea?
The InChIKey is GIBYIIQYTSBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S2Si/c1-5-7-11-10(16)12-17-8-6-9-18(13-2,14-3)15-4/h5-9H2,1-4H3,(H2,11,12,16).
What are the key properties of 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea?
1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea has a molecular weight of 312.53 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(3-trimethoxysilylpropylsulfanyl)thiourea is sourced from PubChem (CID 175364363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).