carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)

C68H72I10N12O10S4V4-4 — CID 158911749

About carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)

carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium) (PubChem CID 158911749) has the molecular formula C68H72I10N12O10S4V4-4 and a molecular weight of 2818.48 g/mol. Its IUPAC name is carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium).

Molecular Properties

• Compound Name: carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)
• PubChem CID: 158911749
• Molecular Formula: C68H72I10N12O10S4V4-4
• Molecular Weight: 2818.48 g/mol
• Exact Mass: 2817.26
• IUPAC Name: carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)
• SMILES: COC(=O)c1ccc2c(S(C)=O)cn(-c3ncc(C)cn3)c2c1.COC(=O)c1ccc2c(S(C)=O)cn(-c3ncc(C)cn3)c2c1.COC(=O)c1ccc2c(SC)cn(-c3ncc(C)cn3)c2c1.COC(=O)c1ccc2c(SC)cn(-c3ncc(C)cn3)c2c1.I[V](I)I.I[V](I)I.I[V]I.I[V]I.[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/2C16H15N3O3S.2C16H15N3O2S.4CH3.10HI.4V/c2*1-10-7-17-16(18-8-10)19-9-14(23(3)21)12-5-4-11(6-13(12)19)15(20)22-2;2*1-10-7-17-16(18-8-10)19-9-14(22-3)12-5-4-11(6-13(12)19)15(20)21-2;;;;;;;;;;;;;;;;;;/h2*4-9H,1-3H3;2*4-9H,1-3H3;4*1H3;10*1H;;;;/q;;;;4*-1;;;;;;;;;;;2*+2;2*+3/p-10
• InChIKey: QDYYICKABCMXPB-UHFFFAOYSA-D
• XLogP: 21.63
• TPSA: 262.18 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2818.48
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)?

The IUPAC name of carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium) (CID 158911749) is carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium).

What is the SMILES notation for carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)?

The canonical SMILES for carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium) is COC(=O)c1ccc2c(S(C)=O)cn(-c3ncc(C)cn3)c2c1.COC(=O)c1ccc2c(S(C)=O)cn(-c3ncc(C)cn3)c2c1.COC(=O)c1ccc2c(SC)cn(-c3ncc(C)cn3)c2c1.COC(=O)c1ccc2c(SC)cn(-c3ncc(C)cn3)c2c1.I[V](I)I.I[V](I)I.I[V]I.I[V]I.[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)?

The InChIKey is QDYYICKABCMXPB-UHFFFAOYSA-D. The full InChI is InChI=1S/2C16H15N3O3S.2C16H15N3O2S.4CH3.10HI.4V/c2*1-10-7-17-16(18-8-10)19-9-14(23(3)21)12-5-4-11(6-13(12)19)15(20)22-2;2*1-10-7-17-16(18-8-10)19-9-14(22-3)12-5-4-11(6-13(12)19)15(20)21-2;;;;;;;;;;;;;;;;;;/h2*4-9H,1-3H3;2*4-9H,1-3H3;4*1H3;10*1H;;;;/q;;;;4*-1;;;;;;;;;;;2*+2;2*+3/p-10.

What are the key properties of carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium)?

carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium) has a molecular weight of 2818.48 g/mol, XLogP of 21.63, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(diiodovanadium);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfanylindole-6-carboxylate);bis(methyl 1-(5-methylpyrimidin-2-yl)-3-methylsulfinylindole-6-carboxylate);bis(triiodovanadium) is sourced from PubChem (CID 158911749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).