potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride

C10H23KN2O2S2 — CID 173323063

IUPACpotassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride
SMILESCCCCN(CCCC)C(=O)S.NC(=O)S.[H-].[K+]
InChIInChI=1S/C9H19NOS.CH3NOS.K.H/c1-3-5-7-10(9(11)12)8-6-4-2;2-1(3)4;;/h3-8H2,1-2H3,(H,11,12);(H3,2,3,4);;/q;;+1;-1
InChIKeyRVNSXLMLJAHRQB-UHFFFAOYSA-N
MW306.54 g/mol
LogP0.05
Rot. Bonds6

About potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride

potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride (PubChem CID 173323063) has the molecular formula C10H23KN2O2S2 and a molecular weight of 306.54 g/mol. Its IUPAC name is potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride.

Molecular Properties

Compound Namepotassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride
PubChem CID173323063
Molecular FormulaC10H23KN2O2S2
Molecular Weight306.54 g/mol
Exact Mass306.08
IUPAC Namepotassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride
SMILESCCCCN(CCCC)C(=O)S.NC(=O)S.[H-].[K+]
InChIInChI=1S/C9H19NOS.CH3NOS.K.H/c1-3-5-7-10(9(11)12)8-6-4-2;2-1(3)4;;/h3-8H2,1-2H3,(H,11,12);(H3,2,3,4);;/q;;+1;-1
InChIKeyRVNSXLMLJAHRQB-UHFFFAOYSA-N
XLogP0.05
TPSA63.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;carbamothioic S-acid;dioctadecylcarbamothioic S-acid;hydride
CID 173324425
carbamothioic S-acid;dihexadecylcarbamothioic S-acid
CID 88597147
sodium;carbamothioic S-acid;dipropylcarbamothioic S-acid;hydride
CID 173333839
di(undecyl)carbamothioic S-acid
CID 87619632
didodecylcarbamothioic S-acid
CID 87178989
butyl(2-methylpropyl)carbamothioic S-acid
CID 88753781
trisodium;carbamothioic S-acid;5-[4-carboxybutyl(sulfanylcarbonyl)amino]pentanoic acid;hydride
CID 173401432
CID 174602065
CID 174602065
carbamothioic S-acid;diethylcarbamothioic S-acid;iron
CID 87359557
1-butyl-1-dodecylurea
CID 168918855
carbamic acid;carbamothioic S-acid;diethylcarbamothioic S-acid
CID 174538510
carbamothioic S-acid;diethylcarbamothioic S-acid;ethane;trihydrochloride
CID 174436109

Frequently Asked Questions

What is the IUPAC name of potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride?
The IUPAC name of potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride (CID 173323063) is potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride.
What is the SMILES notation for potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride?
The canonical SMILES for potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride is CCCCN(CCCC)C(=O)S.NC(=O)S.[H-].[K+].
What is the InChIKey of potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride?
The InChIKey is RVNSXLMLJAHRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS.CH3NOS.K.H/c1-3-5-7-10(9(11)12)8-6-4-2;2-1(3)4;;/h3-8H2,1-2H3,(H,11,12);(H3,2,3,4);;/q;;+1;-1.
What are the key properties of potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride?
potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride has a molecular weight of 306.54 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride is sourced from PubChem (CID 173323063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).