1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea

C9H20N2O3SSi — CID 140840932

IUPAC1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
SMILESC=CNC(=S)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H20N2O3SSi/c1-5-10-9(15)11-7-6-8-16(12-2,13-3)14-4/h5H,1,6-8H2,2-4H3,(H2,10,11,15)
InChIKeyPBTXGXCRLGSNBW-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.86
Rot. Bonds8

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

1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea (PubChem CID 140840932) has the molecular formula C9H20N2O3SSi and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea.

Molecular Properties

Compound Name1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
PubChem CID140840932
Molecular FormulaC9H20N2O3SSi
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea
SMILESC=CNC(=S)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H20N2O3SSi/c1-5-10-9(15)11-7-6-8-16(12-2,13-3)14-4/h5H,1,6-8H2,2-4H3,(H2,10,11,15)
InChIKeyPBTXGXCRLGSNBW-UHFFFAOYSA-N
XLogP0.86
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-trimethoxysilylpropylcarbamodithioic acid
CID 14513088
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
1-N'-(aminomethyl)-1-N-(3-trimethoxysilylpropyl)ethene-1,1-diamine
CID 20651955
N-[ethenyl-bis(3-trimethoxysilylpropylamino)silyl]-3-trimethoxysilylpropan-1-amine
CID 71336651
2-methyl-N-(3-trimethoxysilylpropyl)but-3-en-2-amine;hydrochloride
CID 173360794
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
2-methoxy-N-(3-trimethoxysilylpropyl)acetamide
CID 102479159
N-(3-trimethoxysilylpropyl)formamide
CID 14388644
1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea
CID 10828242
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea?
The IUPAC name of 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea (CID 140840932) is 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea.
What is the SMILES notation for 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea?
The canonical SMILES for 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea is C=CNC(=S)NCCC[Si](OC)(OC)OC.
What is the InChIKey of 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea?
The InChIKey is PBTXGXCRLGSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3SSi/c1-5-10-9(15)11-7-6-8-16(12-2,13-3)14-4/h5H,1,6-8H2,2-4H3,(H2,10,11,15).
What are the key properties of 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea?
1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea has a molecular weight of 264.42 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(3-trimethoxysilylpropyl)thiourea is sourced from PubChem (CID 140840932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).