N-(2-hydroxyethyl)carbamodithioate;triethylazanium

C9H22N2OS2 — CID 22766663

IUPACN-(2-hydroxyethyl)carbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.OCCNC(=S)[S-]
InChIInChI=1S/C6H15N.C3H7NOS2/c1-4-7(5-2)6-3;5-2-1-4-3(6)7/h4-6H2,1-3H3;5H,1-2H2,(H2,4,6,7)
InChIKeyVIPJOVZEEKJVMD-UHFFFAOYSA-N
MW238.42 g/mol
LogP-0.67
Rot. Bonds5

About N-(2-hydroxyethyl)carbamodithioate;triethylazanium

N-(2-hydroxyethyl)carbamodithioate;triethylazanium (PubChem CID 22766663) has the molecular formula C9H22N2OS2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)carbamodithioate;triethylazanium.

Molecular Properties

Compound NameN-(2-hydroxyethyl)carbamodithioate;triethylazanium
PubChem CID22766663
Molecular FormulaC9H22N2OS2
Molecular Weight238.42 g/mol
Exact Mass238.12
IUPAC NameN-(2-hydroxyethyl)carbamodithioate;triethylazanium
SMILESCC[NH+](CC)CC.OCCNC(=S)[S-]
InChIInChI=1S/C6H15N.C3H7NOS2/c1-4-7(5-2)6-3;5-2-1-4-3(6)7/h4-6H2,1-3H3;5H,1-2H2,(H2,4,6,7)
InChIKeyVIPJOVZEEKJVMD-UHFFFAOYSA-N
XLogP-0.67
TPSA36.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyathylammonium-2-hydroxyathyldithiocarbamat
CID 129637752
N-[2-(2-hydroxyethoxy)ethyl]carbamodithioate;triethylazanium
CID 134871455
Ammonium (hydroxyethyl)dithiocarbamate
CID 56842739
2,5-Diazahexan-1,6-dithionic amide, 2-[2-hydroxyethyl]-N,N'-dimethyl-
CID 5377232
N,N-diethylethanamine;2-hydroxyethylcarbamodithioic acid
CID 13514435
N,N-diethylcarbamodithioate;2-hydroxyethyl(trimethyl)azanium
CID 14424417
2-Hydroxyethyl(trimethyl)azanium carbamodithioate
CID 19870702
zinc;N,N-dimethylcarbamodithioate;2-hydroxyethyl(trimethyl)azanium;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 20364117
N-(2-hydroxyethyl)ethanethioamide
CID 20646760
Azanium;2-(2-hydroxyethylamino)ethanol;carbamodithioate
CID 87118070
N,N-diethylethanamine;2-(ethylamino)ethanol
CID 87585647
N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium
CID 87670137

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)carbamodithioate;triethylazanium?
The IUPAC name of N-(2-hydroxyethyl)carbamodithioate;triethylazanium (CID 22766663) is N-(2-hydroxyethyl)carbamodithioate;triethylazanium.
What is the SMILES notation for N-(2-hydroxyethyl)carbamodithioate;triethylazanium?
The canonical SMILES for N-(2-hydroxyethyl)carbamodithioate;triethylazanium is CC[NH+](CC)CC.OCCNC(=S)[S-].
What is the InChIKey of N-(2-hydroxyethyl)carbamodithioate;triethylazanium?
The InChIKey is VIPJOVZEEKJVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H7NOS2/c1-4-7(5-2)6-3;5-2-1-4-3(6)7/h4-6H2,1-3H3;5H,1-2H2,(H2,4,6,7).
What are the key properties of N-(2-hydroxyethyl)carbamodithioate;triethylazanium?
N-(2-hydroxyethyl)carbamodithioate;triethylazanium has a molecular weight of 238.42 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)carbamodithioate;triethylazanium is sourced from PubChem (CID 22766663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).