sodium;2-aminoethanol;N-methylcarbamodithioate

C4H11N2NaOS2 — CID 138597169

IUPACsodium;2-aminoethanol;N-methylcarbamodithioate
SMILESCNC(=S)[S-].NCCO.[Na+]
InChIInChI=1S/C2H7NO.C2H5NS2.Na/c3-1-2-4;1-3-2(4)5;/h4H,1-3H2;1H3,(H2,3,4,5);/q;;+1/p-1
InChIKeyPLPXFMNUFNGJKV-UHFFFAOYSA-M
MW190.27 g/mol
LogP-4.02
Rot. Bonds1

About sodium;2-aminoethanol;N-methylcarbamodithioate

sodium;2-aminoethanol;N-methylcarbamodithioate (PubChem CID 138597169) has the molecular formula C4H11N2NaOS2 and a molecular weight of 190.27 g/mol. Its IUPAC name is sodium;2-aminoethanol;N-methylcarbamodithioate.

Molecular Properties

Compound Namesodium;2-aminoethanol;N-methylcarbamodithioate
PubChem CID138597169
Molecular FormulaC4H11N2NaOS2
Molecular Weight190.27 g/mol
Exact Mass190.02
IUPAC Namesodium;2-aminoethanol;N-methylcarbamodithioate
SMILESCNC(=S)[S-].NCCO.[Na+]
InChIInChI=1S/C2H7NO.C2H5NS2.Na/c3-1-2-4;1-3-2(4)5;/h4H,1-3H2;1H3,(H2,3,4,5);/q;;+1/p-1
InChIKeyPLPXFMNUFNGJKV-UHFFFAOYSA-M
XLogP-4.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-4.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Bis[(2-hydroxyethyl)dithiocarbamato-S,S']nickel
CID 3034726
N,N'-bis(2-hydroxyethyl)thioperoxydicarbamic acid
CID 3000620
Methyl (2-hydroxyethyl)carbamodithioate
CID 13277332
Sodium (2-hydroxyethyl)dithiocarbamate
CID 23685984
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
azanium N-(1-hydroxyethyl)carbamodithioate
CID 139594607
Azane;2-hydroxyethylcarbamodithioic acid
CID 170844330
copper bis(N-(2-hydroxyethyl)carbamodithioate)
CID 20038826
N-(2-hydroxyethyl)ethanethioamide
CID 20646760

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminoethanol;N-methylcarbamodithioate?
The IUPAC name of sodium;2-aminoethanol;N-methylcarbamodithioate (CID 138597169) is sodium;2-aminoethanol;N-methylcarbamodithioate.
What is the SMILES notation for sodium;2-aminoethanol;N-methylcarbamodithioate?
The canonical SMILES for sodium;2-aminoethanol;N-methylcarbamodithioate is CNC(=S)[S-].NCCO.[Na+].
What is the InChIKey of sodium;2-aminoethanol;N-methylcarbamodithioate?
The InChIKey is PLPXFMNUFNGJKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7NO.C2H5NS2.Na/c3-1-2-4;1-3-2(4)5;/h4H,1-3H2;1H3,(H2,3,4,5);/q;;+1/p-1.
What are the key properties of sodium;2-aminoethanol;N-methylcarbamodithioate?
sodium;2-aminoethanol;N-methylcarbamodithioate has a molecular weight of 190.27 g/mol, XLogP of -4.02, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminoethanol;N-methylcarbamodithioate is sourced from PubChem (CID 138597169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).