tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))

C109H166N4S4Si4Ti4 — CID 162298899

About tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))

tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)) (PubChem CID 162298899) has the molecular formula C109H166N4S4Si4Ti4 and a molecular weight of 1964.63 g/mol. Its IUPAC name is tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)).

Molecular Properties

• Compound Name: tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))
• PubChem CID: 162298899
• Molecular Formula: C109H166N4S4Si4Ti4
• Molecular Weight: 1964.63 g/mol
• Exact Mass: 1962.90
• IUPAC Name: tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))
• SMILES: CC(C)[N-][Si](C)(C)C1C(C)C(C)C2c3c(sc4ccccc34)C=CC21.CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2C=Cc3sc4ccccc4c3C12.CC1C(C)C([Si](C)(C)[N-]C(C)(C)CC(C)(C)C)C2C=Cc3sc4ccccc4c3C12.CC1C(C)C([Si](C)(C)[N-]c2ccccc2)C2C=Cc3sc4ccccc4c3C12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
• InChI: InChI=1S/C27H40NSSi.C25H28NSSi.C23H32NSSi.C22H30NSSi.12CH3.4Ti/c1-17-18(2)25(30(8,9)28-27(6,7)16-26(3,4)5)20-14-15-22-24(23(17)20)19-12-10-11-13-21(19)29-22;1-16-17(2)25(28(3,4)26-18-10-6-5-7-11-18)20-14-15-22-24(23(16)20)19-12-8-9-13-21(19)27-22;1-14-15(2)22(26(6,7)24-23(3,4)5)17-12-13-19-21(20(14)17)16-10-8-9-11-18(16)25-19;1-13(2)23-25(5,6)22-15(4)14(3)20-17(22)11-12-19-21(20)16-9-7-8-10-18(16)24-19;;;;;;;;;;;;;;;;/h10-15,17-18,20,23,25H,16H2,1-9H3;5-17,20,23,25H,1-4H3;8-15,17,20,22H,1-7H3;7-15,17,20,22H,1-6H3;12*1H3;;;;/q16*-1;4*+4
• InChIKey: NVLKOGCXDQLXAU-UHFFFAOYSA-N
• XLogP: 37.60
• TPSA: 56.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1964.63
LogP ≤ 5	37.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))?

The IUPAC name of tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)) (CID 162298899) is tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)).

What is the SMILES notation for tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))?

The canonical SMILES for tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)) is CC(C)[N-][Si](C)(C)C1C(C)C(C)C2c3c(sc4ccccc34)C=CC21.CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2C=Cc3sc4ccccc4c3C12.CC1C(C)C([Si](C)(C)[N-]C(C)(C)CC(C)(C)C)C2C=Cc3sc4ccccc4c3C12.CC1C(C)C([Si](C)(C)[N-]c2ccccc2)C2C=Cc3sc4ccccc4c3C12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].

What is the InChIKey of tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))?

The InChIKey is NVLKOGCXDQLXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40NSSi.C25H28NSSi.C23H32NSSi.C22H30NSSi.12CH3.4Ti/c1-17-18(2)25(30(8,9)28-27(6,7)16-26(3,4)5)20-14-15-22-24(23(17)20)19-12-10-11-13-21(19)29-22;1-16-17(2)25(28(3,4)26-18-10-6-5-7-11-18)20-14-15-22-24(23(16)20)19-12-8-9-13-21(19)27-22;1-14-15(2)22(26(6,7)24-23(3,4)5)17-12-13-19-21(20(14)17)16-10-8-9-11-18(16)25-19;1-13(2)23-25(5,6)22-15(4)14(3)20-17(22)11-12-19-21(20)16-9-7-8-10-18(16)24-19;;;;;;;;;;;;;;;;/h10-15,17-18,20,23,25H,16H2,1-9H3;5-17,20,23,25H,1-4H3;8-15,17,20,22H,1-7H3;7-15,17,20,22H,1-6H3;12*1H3;;;;/q16*-1;4*+4.

What are the key properties of tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+))?

tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)) has a molecular weight of 1964.63 g/mol, XLogP of 37.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]azanide;carbanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-phenylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-propan-2-ylazanide;[(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-dimethylsilyl]-(2,4,4-trimethylpentan-2-yl)azanide;tetrakis(titanium(4+)) is sourced from PubChem (CID 162298899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).