carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)

C24H35NSSiTi — CID 140787560

About carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)

carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+) (PubChem CID 140787560) has the molecular formula C24H35NSSiTi and a molecular weight of 445.57 g/mol. Its IUPAC name is carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+).

Molecular Properties

• Compound Name: carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)
• PubChem CID: 140787560
• Molecular Formula: C24H35NSSiTi
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.17
• IUPAC Name: carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)
• SMILES: CC1C(C)C([Si](C)(C)[N-]c2ccccc2)C2c3ccccc3SC12.[CH3-].[CH3-].[CH3-].[Ti+4]
• InChI: InChI=1S/C21H26NSSi.3CH3.Ti/c1-14-15(2)21(24(3,4)22-16-10-6-5-7-11-16)19-17-12-8-9-13-18(17)23-20(14)19;;;;/h5-15,19-21H,1-4H3;3*1H3;/q4*-1;+4
• InChIKey: ULLCAYFWTWKMIQ-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 14.10 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)?

The IUPAC name of carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+) (CID 140787560) is carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+).

What is the SMILES notation for carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)?

The canonical SMILES for carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+) is CC1C(C)C([Si](C)(C)[N-]c2ccccc2)C2c3ccccc3SC12.[CH3-].[CH3-].[CH3-].[Ti+4].

What is the InChIKey of carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)?

The InChIKey is ULLCAYFWTWKMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26NSSi.3CH3.Ti/c1-14-15(2)21(24(3,4)22-16-10-6-5-7-11-16)19-17-12-8-9-13-18(17)23-20(14)19;;;;/h5-15,19-21H,1-4H3;3*1H3;/q4*-1;+4.

What are the key properties of carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+)?

carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+) has a molecular weight of 445.57 g/mol, XLogP of 8.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;titanium(4+) is sourced from PubChem (CID 140787560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).