8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

C28H20N2O8S7 — CID 167645636

About 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 167645636) has the molecular formula C28H20N2O8S7 and a molecular weight of 736.94 g/mol. Its IUPAC name is 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

• Compound Name: 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• PubChem CID: 167645636
• Molecular Formula: C28H20N2O8S7
• Molecular Weight: 736.94 g/mol
• Exact Mass: 735.93
• IUPAC Name: 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• SMILES: COc1cccc2oc(=O)c3cc(N)ccc3c12.COc1cccc2oc(=O)c3cc([N+](=O)[O-])ccc3c12.S=S=S.S=S=S=S
• InChI: InChI=1S/C14H9NO5.C14H11NO3.S4.S3/c1-19-11-3-2-4-12-13(11)9-6-5-8(15(17)18)7-10(9)14(16)20-12;1-17-11-3-2-4-12-13(11)9-6-5-8(15)7-10(9)14(16)18-12;1-3-4-2;1-3-2/h2-7H,1H3;2-7H,15H2,1H3
• InChIKey: PVGYMQYYNRTCBN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 148.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	736.94
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The IUPAC name of 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 167645636) is 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

What is the SMILES notation for 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The canonical SMILES for 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is COc1cccc2oc(=O)c3cc(N)ccc3c12.COc1cccc2oc(=O)c3cc([N+](=O)[O-])ccc3c12.S=S=S.S=S=S=S.

What is the InChIKey of 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The InChIKey is PVGYMQYYNRTCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5.C14H11NO3.S4.S3/c1-19-11-3-2-4-12-13(11)9-6-5-8(15(17)18)7-10(9)14(16)20-12;1-17-11-3-2-4-12-13(11)9-6-5-8(15)7-10(9)14(16)18-12;1-3-4-2;1-3-2/h2-7H,1H3;2-7H,15H2,1H3;;.

What are the key properties of 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 736.94 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-amino-1-methoxybenzo[c]chromen-6-one;bis(sulfanylidene)-λ4-sulfane;1-methoxy-8-nitrobenzo[c]chromen-6-one;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 167645636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).