N-[2-(dimethylamino)ethyl]thiohydroxylamine

C4H12N2S — CID 123871095

IUPACN-[2-(dimethylamino)ethyl]thiohydroxylamine
SMILESCN(C)CCNS
InChIInChI=1S/C4H12N2S/c1-6(2)4-3-5-7/h5,7H,3-4H2,1-2H3
InChIKeyCOTWDVXMINNHNY-UHFFFAOYSA-N
MW120.22 g/mol
LogP-0.02
Rot. Bonds3

About N-[2-(dimethylamino)ethyl]thiohydroxylamine

N-[2-(dimethylamino)ethyl]thiohydroxylamine (PubChem CID 123871095) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]thiohydroxylamine
PubChem CID123871095
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC NameN-[2-(dimethylamino)ethyl]thiohydroxylamine
SMILESCN(C)CCNS
InChIInChI=1S/C4H12N2S/c1-6(2)4-3-5-7/h5,7H,3-4H2,1-2H3
InChIKeyCOTWDVXMINNHNY-UHFFFAOYSA-N
XLogP-0.02
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]thiohydroxylamine (CID 123871095) is N-[2-(dimethylamino)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]thiohydroxylamine is CN(C)CCNS.
What is the InChIKey of N-[2-(dimethylamino)ethyl]thiohydroxylamine?
The InChIKey is COTWDVXMINNHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-6(2)4-3-5-7/h5,7H,3-4H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]thiohydroxylamine?
N-[2-(dimethylamino)ethyl]thiohydroxylamine has a molecular weight of 120.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]thiohydroxylamine is sourced from PubChem (CID 123871095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).