bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C35H47ClN6O8S26 — CID 160799790

About bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 160799790) has the molecular formula C35H47ClN6O8S26 and a molecular weight of 1548.99 g/mol. Its IUPAC name is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

• Compound Name: bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• PubChem CID: 160799790
• Molecular Formula: C35H47ClN6O8S26
• Molecular Weight: 1548.99 g/mol
• Exact Mass: 1545.59
• IUPAC Name: bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• SMILES: C.CC(C)(C)C(=O)CC(=O)NCc1nc(-c2nc(C(=O)O)cs2)cs1.CC(C)(C)SC(=O)CC(=O)C(C)(C)C.O=C(O)c1csc(-c2csc(CNCl)n2)n1.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S
• InChI: InChI=1S/C15H17N3O4S2.C11H20O2S.C8H6ClN3O2S2.CH4.S8.S7.S6/c1-15(2,3)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;1-10(2,3)8(12)7-9(13)14-11(4,5)6;9-10-1-6-11-4(2-15-6)7-12-5(3-16-7)8(13)14;;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h6-7H,4-5H2,1-3H3,(H,16,20)(H,21,22);7H2,1-6H3;2-3,10H,1H2,(H,13,14);1H4
• InChIKey: SCXNWNAQJRQIAR-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 218.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.99
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 160799790) is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

What is the SMILES notation for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The canonical SMILES for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C.CC(C)(C)C(=O)CC(=O)NCc1nc(-c2nc(C(=O)O)cs2)cs1.CC(C)(C)SC(=O)CC(=O)C(C)(C)C.O=C(O)c1csc(-c2csc(CNCl)n2)n1.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S.

What is the InChIKey of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The InChIKey is SCXNWNAQJRQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2.C11H20O2S.C8H6ClN3O2S2.CH4.S8.S7.S6/c1-15(2,3)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;1-10(2,3)8(12)7-9(13)14-11(4,5)6;9-10-1-6-11-4(2-15-6)7-12-5(3-16-7)8(13)14;;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h6-7H,4-5H2,1-3H3,(H,16,20)(H,21,22);7H2,1-6H3;2-3,10H,1H2,(H,13,14);1H4;;;.

What are the key properties of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 1548.99 g/mol, XLogP of 8.43, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 4,4-dimethyl-3-oxopentanethioate;2-[2-[(chloroamino)methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[(4,4-dimethyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 160799790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).