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

C67H111N3S3Si3Ti3 — CID 162298902

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

tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)) (PubChem CID 162298902) has the molecular formula C67H111N3S3Si3Ti3 and a molecular weight of 1282.71 g/mol. Its IUPAC name is tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)).

Molecular Properties

• Compound Name: tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+))
• PubChem CID: 162298902
• Molecular Formula: C67H111N3S3Si3Ti3
• Molecular Weight: 1282.71 g/mol
• Exact Mass: 1281.57
• IUPAC Name: tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+))
• SMILES: CC(C)[N-][Si](C)(C)C1C(C)C(C)C2Sc3ccccc3C21.CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2c3ccccc3SC12.CC1C(C)C([Si](C)(C)[N-]c2ccccc2)C2c3ccccc3SC12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4]
• InChI: InChI=1S/C21H26NSSi.C19H30NSSi.C18H28NSSi.9CH3.3Ti/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;1-12-13(2)18(22(6,7)20-19(3,4)5)16-14-10-8-9-11-15(14)21-17(12)16;1-11(2)19-21(5,6)18-13(4)12(3)17-16(18)14-9-7-8-10-15(14)20-17;;;;;;;;;;;;/h5-15,19-21H,1-4H3;8-13,16-18H,1-7H3;7-13,16-18H,1-6H3;9*1H3;;;/q12*-1;3*+4
• InChIKey: ZHWJLOFATBAIQO-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 42.30 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1282.71
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+))?

The IUPAC name of tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)) (CID 162298902) is tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)).

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

The canonical SMILES for tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)) is CC(C)[N-][Si](C)(C)C1C(C)C(C)C2Sc3ccccc3C21.CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2c3ccccc3SC12.CC1C(C)C([Si](C)(C)[N-]c2ccccc2)C2c3ccccc3SC12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].

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

The InChIKey is ZHWJLOFATBAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26NSSi.C19H30NSSi.C18H28NSSi.9CH3.3Ti/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;1-12-13(2)18(22(6,7)20-19(3,4)5)16-14-10-8-9-11-15(14)21-17(12)16;1-11(2)19-21(5,6)18-13(4)12(3)17-16(18)14-9-7-8-10-15(14)20-17;;;;;;;;;;;;/h5-15,19-21H,1-4H3;8-13,16-18H,1-7H3;7-13,16-18H,1-6H3;9*1H3;;;/q12*-1;3*+4.

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

tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)) has a molecular weight of 1282.71 g/mol, XLogP of 23.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]azanide;carbanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-phenylazanide;[(2,3-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-1-yl)-dimethylsilyl]-propan-2-ylazanide;tris(titanium(4+)) is sourced from PubChem (CID 162298902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).