azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride

C30H39Cl2N7O8S21 — CID 159779329

About azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride

azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride (PubChem CID 159779329) has the molecular formula C30H39Cl2N7O8S21 and a molecular weight of 1370.00 g/mol. Its IUPAC name is azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride.

Molecular Properties

• Compound Name: azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride
• PubChem CID: 159779329
• Molecular Formula: C30H39Cl2N7O8S21
• Molecular Weight: 1370.00 g/mol
• Exact Mass: 1366.64
• IUPAC Name: azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride
• SMILES: C.CC(C)(C)C(=O)CC(=O)NCc1nc(-c2nc(C(=O)O)cs2)cs1.CC(C)(Cl)C(=O)CC(=O)NCc1nc(-c2nc(C(=O)O)cs2)cs1.Cl.N.S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C15H17N3O4S2.C14H14ClN3O4S2.CH4.ClH.H3N.S9.S8/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;1-14(2,15)9(19)3-10(20)16-4-11-17-7(5-23-11)12-18-8(6-24-12)13(21)22;;;;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2/h6-7H,4-5H2,1-3H3,(H,16,20)(H,21,22);5-6H,3-4H2,1-2H3,(H,16,20)(H,21,22);1H4;1H;1H3
• InChIKey: RCISHOBTRZERDU-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 253.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1370.00
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

The IUPAC name of azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride (CID 159779329) is azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride.

What is the SMILES notation for azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

The canonical SMILES for azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride is C.CC(C)(C)C(=O)CC(=O)NCc1nc(-c2nc(C(=O)O)cs2)cs1.CC(C)(Cl)C(=O)CC(=O)NCc1nc(-c2nc(C(=O)O)cs2)cs1.Cl.N.S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S.

What is the InChIKey of azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

The InChIKey is RCISHOBTRZERDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2.C14H14ClN3O4S2.CH4.ClH.H3N.S9.S8/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;1-14(2,15)9(19)3-10(20)16-4-11-17-7(5-23-11)12-18-8(6-24-12)13(21)22;;;;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2/h6-7H,4-5H2,1-3H3,(H,16,20)(H,21,22);5-6H,3-4H2,1-2H3,(H,16,20)(H,21,22);1H4;1H;1H3;;.

What are the key properties of azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride has a molecular weight of 1370.00 g/mol, XLogP of 6.32, 13 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for azane;bis[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-[2-[[(4-chloro-4-methyl-3-oxopentanoyl)amino]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-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride is sourced from PubChem (CID 159779329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).