3-(3-trimethoxysilylpropylsulfanyl)propylthiourea

C10H24N2O3S2Si — CID 162353222

IUPAC3-(3-trimethoxysilylpropylsulfanyl)propylthiourea
SMILESCO[Si](CCCSCCCNC(N)=S)(OC)OC
InChIInChI=1S/C10H24N2O3S2Si/c1-13-18(14-2,15-3)9-5-8-17-7-4-6-12-10(11)16/h4-9H2,1-3H3,(H3,11,12,16)
InChIKeyLTJAGTJDYRLCAY-UHFFFAOYSA-N
MW312.53 g/mol
LogP1.21
Rot. Bonds11

About 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea

3-(3-trimethoxysilylpropylsulfanyl)propylthiourea (PubChem CID 162353222) has the molecular formula C10H24N2O3S2Si and a molecular weight of 312.53 g/mol. Its IUPAC name is 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea.

Molecular Properties

Compound Name3-(3-trimethoxysilylpropylsulfanyl)propylthiourea
PubChem CID162353222
Molecular FormulaC10H24N2O3S2Si
Molecular Weight312.53 g/mol
Exact Mass312.10
IUPAC Name3-(3-trimethoxysilylpropylsulfanyl)propylthiourea
SMILESCO[Si](CCCSCCCNC(N)=S)(OC)OC
InChIInChI=1S/C10H24N2O3S2Si/c1-13-18(14-2,15-3)9-5-8-17-7-4-6-12-10(11)16/h4-9H2,1-3H3,(H3,11,12,16)
InChIKeyLTJAGTJDYRLCAY-UHFFFAOYSA-N
XLogP1.21
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 51.21
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea?
The IUPAC name of 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea (CID 162353222) is 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea.
What is the SMILES notation for 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea?
The canonical SMILES for 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea is CO[Si](CCCSCCCNC(N)=S)(OC)OC.
What is the InChIKey of 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea?
The InChIKey is LTJAGTJDYRLCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S2Si/c1-13-18(14-2,15-3)9-5-8-17-7-4-6-12-10(11)16/h4-9H2,1-3H3,(H3,11,12,16).
What are the key properties of 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea?
3-(3-trimethoxysilylpropylsulfanyl)propylthiourea has a molecular weight of 312.53 g/mol, XLogP of 1.21, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethoxysilylpropylsulfanyl)propylthiourea is sourced from PubChem (CID 162353222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).