3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)

C17H25NSSiTi — CID 175015021

IUPAC3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)
SMILESCC1=C(C)C([Si](C)(C)N)c2sc3ccccc3c21.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C15H19NSSi.2CH3.Ti/c1-9-10(2)15(18(3,4)16)14-13(9)11-7-5-6-8-12(11)17-14;;;/h5-8,15H,16H2,1-4H3;2*1H3;/q;2*-1;+2
InChIKeyVUEFZCGHOFLAJO-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.39
Rot. Bonds1

About 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)

3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+) (PubChem CID 175015021) has the molecular formula C17H25NSSiTi and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+).

Molecular Properties

Compound Name3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)
PubChem CID175015021
Molecular FormulaC17H25NSSiTi
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)
SMILESCC1=C(C)C([Si](C)(C)N)c2sc3ccccc3c21.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C15H19NSSi.2CH3.Ti/c1-9-10(2)15(18(3,4)16)14-13(9)11-7-5-6-8-12(11)17-14;;;/h5-8,15H,16H2,1-4H3;2*1H3;/q;2*-1;+2
InChIKeyVUEFZCGHOFLAJO-UHFFFAOYSA-N
XLogP5.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)?
The IUPAC name of 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+) (CID 175015021) is 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+).
What is the SMILES notation for 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)?
The canonical SMILES for 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+) is CC1=C(C)C([Si](C)(C)N)c2sc3ccccc3c21.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)?
The InChIKey is VUEFZCGHOFLAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NSSi.2CH3.Ti/c1-9-10(2)15(18(3,4)16)14-13(9)11-7-5-6-8-12(11)17-14;;;/h5-8,15H,16H2,1-4H3;2*1H3;/q;2*-1;+2.
What are the key properties of 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+)?
3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+) has a molecular weight of 351.41 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(dimethyl)silyl]-1,2-dimethyl-3H-cyclopenta[b][1]benzothiole;carbanide;titanium(2+) is sourced from PubChem (CID 175015021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).