potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane

C12H10IKO3S128 — CID 160874127

IUPACpotassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane
SMILESCC1=CC(=O)c2ccc(CO)cc2C1=O.S=S(=S)(I)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S[S-].[K+]
InChIInChI=1S/C12H10O3.HIS128.K/c1-7-4-11(14)9-3-2-8(6-13)5-10(9)12(7)15;1-88(3,4)90(7,8)92(11,12)94(15,16)96(19,20)98(23,24)100(27,28)102(31,32)104(35,36)106(39,40)108(43,44)110(47,48)112(51,52)114(55,56)116(59,60)118(63,64)120(67,68)122(71,72)124(75,76)126(79,80)128(83,84)129(85,86)127(81,82)125(77,78)123(73,74)121(69,70)119(65,66)117(61,62)115(57,58)113(53,54)111(49,50)109(45,46)107(41,42)105(37,38)103(33,34)101(29,30)99(25,26)97(21,22)95(17,18)93(13,14)91(9,10)89(5,6)87-2;/h2-5,13H,6H2,1H3;2H;/q;;+1/p-1
InChIKeySMDPNWLJDNMJBQ-UHFFFAOYSA-M
MW4472.79 g/mol
LogP-0.26
Rot. Bonds43

About potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane

potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane (PubChem CID 160874127) has the molecular formula C12H10IKO3S128 and a molecular weight of 4472.79 g/mol. Its IUPAC name is potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane.

Molecular Properties

Compound Namepotassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane
PubChem CID160874127
Molecular FormulaC12H10IKO3S128
Molecular Weight4472.79 g/mol
Exact Mass4460.36
IUPAC Namepotassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane
SMILESCC1=CC(=O)c2ccc(CO)cc2C1=O.S=S(=S)(I)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S[S-].[K+]
InChIInChI=1S/C12H10O3.HIS128.K/c1-7-4-11(14)9-3-2-8(6-13)5-10(9)12(7)15;1-88(3,4)90(7,8)92(11,12)94(15,16)96(19,20)98(23,24)100(27,28)102(31,32)104(35,36)106(39,40)108(43,44)110(47,48)112(51,52)114(55,56)116(59,60)118(63,64)120(67,68)122(71,72)124(75,76)126(79,80)128(83,84)129(85,86)127(81,82)125(77,78)123(73,74)121(69,70)119(65,66)117(61,62)115(57,58)113(53,54)111(49,50)109(45,46)107(41,42)105(37,38)103(33,34)101(29,30)99(25,26)97(21,22)95(17,18)93(13,14)91(9,10)89(5,6)87-2;/h2-5,13H,6H2,1H3;2H;/q;;+1/p-1
InChIKeySMDPNWLJDNMJBQ-UHFFFAOYSA-M
XLogP-0.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors89
Rotatable Bonds43
Heavy Atoms145
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004472.79
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1089

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane?
The IUPAC name of potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane (CID 160874127) is potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane.
What is the SMILES notation for potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane?
The canonical SMILES for potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane is CC1=CC(=O)c2ccc(CO)cc2C1=O.S=S(=S)(I)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S(=S)(=S)S[S-].[K+].
What is the InChIKey of potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane?
The InChIKey is SMDPNWLJDNMJBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3.HIS128.K/c1-7-4-11(14)9-3-2-8(6-13)5-10(9)12(7)15;1-88(3,4)90(7,8)92(11,12)94(15,16)96(19,20)98(23,24)100(27,28)102(31,32)104(35,36)106(39,40)108(43,44)110(47,48)112(51,52)114(55,56)116(59,60)118(63,64)120(67,68)122(71,72)124(75,76)126(79,80)128(83,84)129(85,86)127(81,82)125(77,78)123(73,74)121(69,70)119(65,66)117(61,62)115(57,58)113(53,54)111(49,50)109(45,46)107(41,42)105(37,38)103(33,34)101(29,30)99(25,26)97(21,22)95(17,18)93(13,14)91(9,10)89(5,6)87-2;/h2-5,13H,6H2,1H3;2H;/q;;+1/p-1.
What are the key properties of potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane?
potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane has a molecular weight of 4472.79 g/mol, XLogP of -0.26, 43 rotatable bonds, 1 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;7-(hydroxymethyl)-2-methylnaphthalene-1,4-dione;iodo-bis(sulfanylidene)-sulfidosulfanylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioylsulfonodithioyl-λ6-sulfane is sourced from PubChem (CID 160874127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).