N-ethylethanethioamide

C4H9NS — CID 22943154

IUPACN-ethylethanethioamide
SMILESCCNC(C)=S
InChIInChI=1S/C4H9NS/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKeyJXRGNOBBIHTYBO-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.94
Rot. Bonds1

About N-ethylethanethioamide

N-ethylethanethioamide (PubChem CID 22943154) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is N-ethylethanethioamide.

Molecular Properties

Compound NameN-ethylethanethioamide
PubChem CID22943154
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC NameN-ethylethanethioamide
SMILESCCNC(C)=S
InChIInChI=1S/C4H9NS/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKeyJXRGNOBBIHTYBO-UHFFFAOYSA-N
XLogP0.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanethioamide?
The IUPAC name of N-ethylethanethioamide (CID 22943154) is N-ethylethanethioamide.
What is the SMILES notation for N-ethylethanethioamide?
The canonical SMILES for N-ethylethanethioamide is CCNC(C)=S.
What is the InChIKey of N-ethylethanethioamide?
The InChIKey is JXRGNOBBIHTYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6).
What are the key properties of N-ethylethanethioamide?
N-ethylethanethioamide has a molecular weight of 103.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanethioamide is sourced from PubChem (CID 22943154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).