N-[1-(dimethylamino)ethylidene]ethanethioamide

C6H12N2S — CID 20745756

IUPACN-[1-(dimethylamino)ethylidene]ethanethioamide
SMILESCC(=S)/N=C(\C)N(C)C
InChIInChI=1S/C6H12N2S/c1-5(8(3)4)7-6(2)9/h1-4H3/b7-5+
InChIKeyOVRTYZQCAWBFBR-FNORWQNLSA-N
MW144.24 g/mol
LogP1.31
Rot. Bonds

About N-[1-(dimethylamino)ethylidene]ethanethioamide

N-[1-(dimethylamino)ethylidene]ethanethioamide (PubChem CID 20745756) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]ethanethioamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]ethanethioamide
PubChem CID20745756
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC NameN-[1-(dimethylamino)ethylidene]ethanethioamide
SMILESCC(=S)/N=C(\C)N(C)C
InChIInChI=1S/C6H12N2S/c1-5(8(3)4)7-6(2)9/h1-4H3/b7-5+
InChIKeyOVRTYZQCAWBFBR-FNORWQNLSA-N
XLogP1.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethylidene]ethanethioamide?
The IUPAC name of N-[1-(dimethylamino)ethylidene]ethanethioamide (CID 20745756) is N-[1-(dimethylamino)ethylidene]ethanethioamide.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]ethanethioamide?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]ethanethioamide is CC(=S)/N=C(\C)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]ethanethioamide?
The InChIKey is OVRTYZQCAWBFBR-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(8(3)4)7-6(2)9/h1-4H3/b7-5+.
What are the key properties of N-[1-(dimethylamino)ethylidene]ethanethioamide?
N-[1-(dimethylamino)ethylidene]ethanethioamide has a molecular weight of 144.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]ethanethioamide is sourced from PubChem (CID 20745756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).