azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate

C5H17N3O2S2 — CID 87118070

IUPACazanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate
SMILESNC(=S)[S-].OCCNCCO.[NH4+]
InChIInChI=1S/C4H11NO2.CH3NS2.H3N/c6-3-1-5-2-4-7;2-1(3)4;/h5-7H,1-4H2;(H3,2,3,4);1H3
InChIKeySXUWZYPCGUBNGN-UHFFFAOYSA-N
MW215.34 g/mol
LogP-1.29
Rot. Bonds4

About azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate

azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate (PubChem CID 87118070) has the molecular formula C5H17N3O2S2 and a molecular weight of 215.34 g/mol. Its IUPAC name is azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate.

Molecular Properties

Compound Nameazanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate
PubChem CID87118070
Molecular FormulaC5H17N3O2S2
Molecular Weight215.34 g/mol
Exact Mass215.08
IUPAC Nameazanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate
SMILESNC(=S)[S-].OCCNCCO.[NH4+]
InChIInChI=1S/C4H11NO2.CH3NS2.H3N/c6-3-1-5-2-4-7;2-1(3)4;/h5-7H,1-4H2;(H3,2,3,4);1H3
InChIKeySXUWZYPCGUBNGN-UHFFFAOYSA-N
XLogP-1.29
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Bis(2-hydroxyethyl)dithiooxamide
CID 1900910
N,N'-bis(2-hydroxyethyl)thioperoxydicarbamic acid
CID 3000620
Bis[(2-hydroxyethyl)dithiocarbamato-S,S']nickel
CID 3034726
N~1~-(2-Hydroxyethyl)ethanebis(thioamide)
CID 3880839
2-Hydroxyathylammonium-2-hydroxyathyldithiocarbamat
CID 129637752
Bis((2-hydroxyethyl)dithiocarbamato-S,S')zinc
CID 56841149
Ammonium (hydroxyethyl)dithiocarbamate
CID 56842739
Zinc bis[(2-hydroxyethyl)carbamodithioate]
CID 76418767
2-Hydroxy-N,N-bis(2-hydroxyethyl)ethan-1-aminium thiocyanate
CID 138395059
Azane;2-hydroxyethylcarbamodithioic acid
CID 170844330
N,N-diethylethanamine;2-hydroxyethylcarbamodithioic acid
CID 13514435
copper bis(N-(2-hydroxyethyl)carbamodithioate)
CID 20038826

Frequently Asked Questions

What is the IUPAC name of azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate?
The IUPAC name of azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate (CID 87118070) is azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate.
What is the SMILES notation for azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate?
The canonical SMILES for azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate is NC(=S)[S-].OCCNCCO.[NH4+].
What is the InChIKey of azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate?
The InChIKey is SXUWZYPCGUBNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.CH3NS2.H3N/c6-3-1-5-2-4-7;2-1(3)4;/h5-7H,1-4H2;(H3,2,3,4);1H3.
What are the key properties of azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate?
azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate has a molecular weight of 215.34 g/mol, XLogP of -1.29, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate is sourced from PubChem (CID 87118070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).