[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium

C7H19N2O3SSi+ — CID 101376195

IUPAC[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
SMILESCO[Si](CCCSC(N)=[NH2+])(OC)OC
InChIInChI=1S/C7H18N2O3SSi/c1-10-14(11-2,12-3)6-4-5-13-7(8)9/h4-6H2,1-3H3,(H3,8,9)/p+1
InChIKeyHTYZAYXDHKUMCW-UHFFFAOYSA-O
MW239.39 g/mol
LogP-0.94
Rot. Bonds7

About [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium

[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium (PubChem CID 101376195) has the molecular formula C7H19N2O3SSi+ and a molecular weight of 239.39 g/mol. Its IUPAC name is [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium.

Molecular Properties

Compound Name[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
PubChem CID101376195
Molecular FormulaC7H19N2O3SSi+
Molecular Weight239.39 g/mol
Exact Mass239.09
IUPAC Name[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium
SMILESCO[Si](CCCSC(N)=[NH2+])(OC)OC
InChIInChI=1S/C7H18N2O3SSi/c1-10-14(11-2,12-3)6-4-5-13-7(8)9/h4-6H2,1-3H3,(H3,8,9)/p+1
InChIKeyHTYZAYXDHKUMCW-UHFFFAOYSA-O
XLogP-0.94
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 5-0.94
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium?
The IUPAC name of [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium (CID 101376195) is [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium.
What is the SMILES notation for [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium?
The canonical SMILES for [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium is CO[Si](CCCSC(N)=[NH2+])(OC)OC.
What is the InChIKey of [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium?
The InChIKey is HTYZAYXDHKUMCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H18N2O3SSi/c1-10-14(11-2,12-3)6-4-5-13-7(8)9/h4-6H2,1-3H3,(H3,8,9)/p+1.
What are the key properties of [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium?
[amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium has a molecular weight of 239.39 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(3-trimethoxysilylpropylsulfanyl)methylidene]azanium is sourced from PubChem (CID 101376195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).