tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))

C125H148Cl2N4S4Ti4 — CID 162287210

About tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))

tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)) (PubChem CID 162287210) has the molecular formula C125H148Cl2N4S4Ti4 and a molecular weight of 2097.23 g/mol. Its IUPAC name is tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)).

Molecular Properties

• Compound Name: tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))
• PubChem CID: 162287210
• Molecular Formula: C125H148Cl2N4S4Ti4
• Molecular Weight: 2097.23 g/mol
• Exact Mass: 2094.79
• IUPAC Name: tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))
• SMILES: CC(C)[N-]c1ccccc1C1C(C)C(C)C2c3c(sc4ccccc34)C=CC12.CC1C(C)C2c3c(sc4ccccc34)C=CC2C1c1ccccc1[N-]C(C)(C)C.CC1C(C)C2c3c(sc4ccccc34)C=CC2C1c1ccccc1[N-]c1c(Cl)cccc1Cl.Cc1cccc(C)c1[N-]c1ccccc1C1C(C)C(C)C2c3c(sc4ccccc34)C=CC12.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
• InChI: InChI=1S/C31H30NS.C29H24Cl2NS.C27H30NS.C26H28NS.12CH3.4Ti/c1-18-10-9-11-19(2)31(18)32-25-14-7-5-12-22(25)28-20(3)21(4)29-24(28)16-17-27-30(29)23-13-6-8-15-26(23)33-27;1-16-17(2)27-20(14-15-25-28(27)19-9-4-6-13-24(19)33-25)26(16)18-8-3-5-12-23(18)32-29-21(30)10-7-11-22(29)31;1-16-17(2)25-20(14-15-23-26(25)19-11-7-9-13-22(19)29-23)24(16)18-10-6-8-12-21(18)28-27(3,4)5;1-15(2)27-21-11-7-5-9-18(21)24-16(3)17(4)25-20(24)13-14-23-26(25)19-10-6-8-12-22(19)28-23;;;;;;;;;;;;;;;;/h5-17,20-21,24,28-29H,1-4H3;3-17,20,26-27H,1-2H3;6-17,20,24-25H,1-5H3;5-17,20,24-25H,1-4H3;12*1H3;;;;/q16*-1;4*+4
• InChIKey: OIIUTOGHHCPKEU-UHFFFAOYSA-N
• XLogP: 42.00
• TPSA: 56.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2097.23
LogP ≤ 5	42.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))?

The IUPAC name of tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)) (CID 162287210) is tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)).

What is the SMILES notation for tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))?

The canonical SMILES for tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)) is CC(C)[N-]c1ccccc1C1C(C)C(C)C2c3c(sc4ccccc34)C=CC12.CC1C(C)C2c3c(sc4ccccc34)C=CC2C1c1ccccc1[N-]C(C)(C)C.CC1C(C)C2c3c(sc4ccccc34)C=CC2C1c1ccccc1[N-]c1c(Cl)cccc1Cl.Cc1cccc(C)c1[N-]c1ccccc1C1C(C)C(C)C2c3c(sc4ccccc34)C=CC12.[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-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))?

The InChIKey is OIIUTOGHHCPKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30NS.C29H24Cl2NS.C27H30NS.C26H28NS.12CH3.4Ti/c1-18-10-9-11-19(2)31(18)32-25-14-7-5-12-22(25)28-20(3)21(4)29-24(28)16-17-27-30(29)23-13-6-8-15-26(23)33-27;1-16-17(2)27-20(14-15-25-28(27)19-9-4-6-13-24(19)33-25)26(16)18-8-3-5-12-23(18)32-29-21(30)10-7-11-22(29)31;1-16-17(2)25-20(14-15-23-26(25)19-11-7-9-13-22(19)29-23)24(16)18-10-6-8-12-21(18)28-27(3,4)5;1-15(2)27-21-11-7-5-9-18(21)24-16(3)17(4)25-20(24)13-14-23-26(25)19-10-6-8-12-22(19)28-23;;;;;;;;;;;;;;;;/h5-17,20-21,24,28-29H,1-4H3;3-17,20,26-27H,1-2H3;6-17,20,24-25H,1-5H3;5-17,20,24-25H,1-4H3;12*1H3;;;;/q16*-1;4*+4.

What are the key properties of tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+))?

tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)) has a molecular weight of 2097.23 g/mol, XLogP of 42.00, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;carbanide;(2,6-dichlorophenyl)-[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-(2,6-dimethylphenyl)azanide;[2-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)phenyl]-propan-2-ylazanide;tetrakis(titanium(4+)) is sourced from PubChem (CID 162287210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).