dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid

C8H8K2O4S4 — CID 173457214

IUPACdipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid
SMILESO=C(O)c1c(S)c(S)c(C(=O)O)c(S)c1S.[H-].[H-].[K+].[K+]
InChIInChI=1S/C8H6O4S4.2K.2H/c9-7(10)1-3(13)5(15)2(8(11)12)6(16)4(1)14;;;;/h13-16H,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeyZTEFDYVZBQHAJT-UHFFFAOYSA-N
MW374.61 g/mol
LogP-3.53
Rot. Bonds2

About dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid

dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid (PubChem CID 173457214) has the molecular formula C8H8K2O4S4 and a molecular weight of 374.61 g/mol. Its IUPAC name is dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid.

Molecular Properties

Compound Namedipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid
PubChem CID173457214
Molecular FormulaC8H8K2O4S4
Molecular Weight374.61 g/mol
Exact Mass373.86
IUPAC Namedipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid
SMILESO=C(O)c1c(S)c(S)c(C(=O)O)c(S)c1S.[H-].[H-].[K+].[K+]
InChIInChI=1S/C8H6O4S4.2K.2H/c9-7(10)1-3(13)5(15)2(8(11)12)6(16)4(1)14;;;;/h13-16H,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeyZTEFDYVZBQHAJT-UHFFFAOYSA-N
XLogP-3.53
TPSA74.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 5-3.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trimethyl-3,6-bis(sulfanyl)benzoic acid
CID 175163977
2,3,4,5-tetramethyl-6-sulfanylbenzoic acid
CID 20691401
2,4,5-trifluoro-6-sulfanylbenzene-1,3-dicarboxylic acid
CID 14204942
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
4-hydroxy-2,6-bis(sulfanyl)benzoic acid
CID 152683614
4-bromo-2,6-bis(sulfanyl)benzoic acid
CID 151143453
5-sulfanylthiophene-2,3,4-tricarboxylic acid
CID 139909687
2-methyl-4,6-bis(sulfanyl)benzene-1,3-dicarboxylic acid
CID 150654295
2,6-difluoro-3,4,5-trihydroxybenzoic acid
CID 45092987
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
magnesium;potassium;carbonic acid;hydride
CID 173403726

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid?
The IUPAC name of dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid (CID 173457214) is dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid.
What is the SMILES notation for dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid?
The canonical SMILES for dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid is O=C(O)c1c(S)c(S)c(C(=O)O)c(S)c1S.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid?
The InChIKey is ZTEFDYVZBQHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4S4.2K.2H/c9-7(10)1-3(13)5(15)2(8(11)12)6(16)4(1)14;;;;/h13-16H,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid?
dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid has a molecular weight of 374.61 g/mol, XLogP of -3.53, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;2,3,5,6-tetrakis(sulfanyl)terephthalic acid is sourced from PubChem (CID 173457214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).