disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine

C106H80Cl12N32Na2O19S10 — CID 160668048

About disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine

disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine (PubChem CID 160668048) has the molecular formula C106H80Cl12N32Na2O19S10 and a molecular weight of 2898.10 g/mol. Its IUPAC name is disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

• Compound Name: disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine
• PubChem CID: 160668048
• Molecular Formula: C106H80Cl12N32Na2O19S10
• Molecular Weight: 2898.10 g/mol
• Exact Mass: 2889.95
• IUPAC Name: disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine
• SMILES: CC(=C(C#N)C#N)c1ccc(N)cc1.CC(=O)c1ccc(N)cc1.Cc1cc(Cl)nc(Cl)c1C#N.Cc1cc(Nc2c[c-]c(Cl)cc2)nc(Nc2ccc(Cl)c(S(=O)(=O)[O-])c2)c1C#N.Clc1nc(Cl)nc(Cl)n1.N#CCC#N.N#Cc1c(-c2ccc(N)cc2)csc1N.N#Cc1c(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)csc1N.N#Cc1c(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)csc1N.Nc1ccc(Cl)c(S(=O)(=O)O)c1.Nc1ccc2cccc(S(=O)(=O)O)c2c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.S.[H][H].[Na+].[Na+]
• InChI: InChI=1S/C19H13Cl2N4O3S.2C14H8Cl2N6S.C11H9N3S.C11H9N3.C10H9NO3S.C8H9NO.C7H4Cl2N2.C6H6ClNO3S.C3Cl3N3.C3H2N2.2Na.3O3S.H2S.H2/c1-11-8-18(23-13-4-2-12(20)3-5-13)25-19(15(11)10-22)24-14-6-7-16(21)17(9-14)29(26,27)28;2*15-12-20-13(16)22-14(21-12)19-8-3-1-7(2-4-8)10-6-23-11(18)9(10)5-17;12-5-9-10(6-15-11(9)14)7-1-3-8(13)4-2-7;1-8(10(6-12)7-13)9-2-4-11(14)5-3-9;11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;1-6(10)7-2-4-8(9)5-3-7;1-4-2-6(8)11-7(9)5(4)3-10;7-5-2-1-4(8)3-6(5)12(9,10)11;4-1-7-2(5)9-3(6)8-1;4-2-1-3-5;;;3*1-4(2)3;;/h2,4-9H,1H3,(H2,23,24,25)(H,26,27,28);2*1-4,6H,18H2,(H,19,20,21,22);1-4,6H,13-14H2;2-5H,14H2,1H3;1-6H,11H2,(H,12,13,14);2-5H,9H2,1H3;2H,1H3;1-3H,8H2,(H,9,10,11);;1H2;;;;;;1H2;1H/q-1;;;;;;;;;;;2*+1;;;;;/p-1
• InChIKey: OQFQAPOXANHXDD-UHFFFAOYSA-M
• XLogP: 18.00
• TPSA: 948.82 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 52
• Rotatable Bonds: 16
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2898.10
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?

The IUPAC name of disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine (CID 160668048) is disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine.

What is the SMILES notation for disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?

The canonical SMILES for disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine is CC(=C(C#N)C#N)c1ccc(N)cc1.CC(=O)c1ccc(N)cc1.Cc1cc(Cl)nc(Cl)c1C#N.Cc1cc(Nc2c[c-]c(Cl)cc2)nc(Nc2ccc(Cl)c(S(=O)(=O)[O-])c2)c1C#N.Clc1nc(Cl)nc(Cl)n1.N#CCC#N.N#Cc1c(-c2ccc(N)cc2)csc1N.N#Cc1c(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)csc1N.N#Cc1c(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)csc1N.Nc1ccc(Cl)c(S(=O)(=O)O)c1.Nc1ccc2cccc(S(=O)(=O)O)c2c1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.S.[H][H].[Na+].[Na+].

What is the InChIKey of disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?

The InChIKey is OQFQAPOXANHXDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13Cl2N4O3S.2C14H8Cl2N6S.C11H9N3S.C11H9N3.C10H9NO3S.C8H9NO.C7H4Cl2N2.C6H6ClNO3S.C3Cl3N3.C3H2N2.2Na.3O3S.H2S.H2/c1-11-8-18(23-13-4-2-12(20)3-5-13)25-19(15(11)10-22)24-14-6-7-16(21)17(9-14)29(26,27)28;2*15-12-20-13(16)22-14(21-12)19-8-3-1-7(2-4-8)10-6-23-11(18)9(10)5-17;12-5-9-10(6-15-11(9)14)7-1-3-8(13)4-2-7;1-8(10(6-12)7-13)9-2-4-11(14)5-3-9;11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14;1-6(10)7-2-4-8(9)5-3-7;1-4-2-6(8)11-7(9)5(4)3-10;7-5-2-1-4(8)3-6(5)12(9,10)11;4-1-7-2(5)9-3(6)8-1;4-2-1-3-5;;;3*1-4(2)3;;/h2,4-9H,1H3,(H2,23,24,25)(H,26,27,28);2*1-4,6H,18H2,(H,19,20,21,22);1-4,6H,13-14H2;2-5H,14H2,1H3;1-6H,11H2,(H,12,13,14);2-5H,9H2,1H3;2H,1H3;1-3H,8H2,(H,9,10,11);;1H2;;;;;;1H2;1H/q-1;;;;;;;;;;;2*+1;;;;;/p-1.

What are the key properties of disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine?

disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine has a molecular weight of 2898.10 g/mol, XLogP of 18.00, 16 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;2-amino-4-(4-aminophenyl)thiophene-3-carbonitrile;5-amino-2-chlorobenzenesulfonic acid;bis(2-amino-4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]thiophene-3-carbonitrile);7-aminonaphthalene-1-sulfonic acid;1-(4-aminophenyl)ethanone;2-[1-(4-aminophenyl)ethylidene]propanedinitrile;2-chloro-5-[[6-[(4-chlorobenzene-5-id-1-yl)amino]-3-cyano-4-methyl-2-pyridinyl]amino]benzenesulfonate;2,6-dichloro-4-methylpyridine-3-carbonitrile;molecular hydrogen;propanedinitrile;sulfane;tris(sulfur trioxide);2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 160668048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).