potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride

C7H19KN4O2S2 — CID 173050032

IUPACpotassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride
SMILESCCCCCN(N)C(=O)S.NNC(=O)S.[H-].[K+]
InChIInChI=1S/C6H14N2OS.CH4N2OS.K.H/c1-2-3-4-5-8(7)6(9)10;2-3-1(4)5;;/h2-5,7H2,1H3,(H,9,10);2H2,(H2,3,4,5);;/q;;+1;-1
InChIKeyMXHIJXLDVLNVPU-UHFFFAOYSA-N
MW294.49 g/mol
LogP-1.98
Rot. Bonds4

About potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride

potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride (PubChem CID 173050032) has the molecular formula C7H19KN4O2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride.

Molecular Properties

Compound Namepotassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride
PubChem CID173050032
Molecular FormulaC7H19KN4O2S2
Molecular Weight294.49 g/mol
Exact Mass294.06
IUPAC Namepotassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride
SMILESCCCCCN(N)C(=O)S.NNC(=O)S.[H-].[K+]
InChIInChI=1S/C6H14N2OS.CH4N2OS.K.H/c1-2-3-4-5-8(7)6(9)10;2-3-1(4)5;;/h2-5,7H2,1H3,(H,9,10);2H2,(H2,3,4,5);;/q;;+1;-1
InChIKeyMXHIJXLDVLNVPU-UHFFFAOYSA-N
XLogP-1.98
TPSA101.45 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid
CID 87290323
sodium;carbamothioic S-acid;dioctadecylcarbamothioic S-acid;hydride
CID 173324425
di(undecyl)carbamothioic S-acid
CID 87619632
didodecylcarbamothioic S-acid
CID 87178989
potassium;carbamothioic S-acid;dibutylcarbamothioic S-acid;hydride
CID 173323063
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
carbamothioic S-acid;dihexadecylcarbamothioic S-acid
CID 88597147
1-chloropentane;N-pentylacetohydrazide
CID 175581019
5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
octadecyl(propan-2-yl)carbamothioic S-acid
CID 87780649
pentyl(trichloromethyl)carbamothioic S-acid
CID 88778299

Frequently Asked Questions

What is the IUPAC name of potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride?
The IUPAC name of potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride (CID 173050032) is potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride.
What is the SMILES notation for potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride?
The canonical SMILES for potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride is CCCCCN(N)C(=O)S.NNC(=O)S.[H-].[K+].
What is the InChIKey of potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride?
The InChIKey is MXHIJXLDVLNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS.CH4N2OS.K.H/c1-2-3-4-5-8(7)6(9)10;2-3-1(4)5;;/h2-5,7H2,1H3,(H,9,10);2H2,(H2,3,4,5);;/q;;+1;-1.
What are the key properties of potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride?
potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride has a molecular weight of 294.49 g/mol, XLogP of -1.98, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;aminocarbamothioic S-acid;amino(pentyl)carbamothioic S-acid;hydride is sourced from PubChem (CID 173050032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).