2-(dimethylamino)ethanethial

C4H9NS — CID 22120419

IUPAC2-(dimethylamino)ethanethial
SMILESCN(C)CC=S
InChIInChI=1S/C4H9NS/c1-5(2)3-4-6/h4H,3H2,1-2H3
InChIKeyASCKGNLYTRCOKC-UHFFFAOYSA-N
MW103.19 g/mol
LogP0.55
Rot. Bonds2

About 2-(dimethylamino)ethanethial

2-(dimethylamino)ethanethial (PubChem CID 22120419) has the molecular formula C4H9NS and a molecular weight of 103.19 g/mol. Its IUPAC name is 2-(dimethylamino)ethanethial.

Molecular Properties

Compound Name2-(dimethylamino)ethanethial
PubChem CID22120419
Molecular FormulaC4H9NS
Molecular Weight103.19 g/mol
Exact Mass103.05
IUPAC Name2-(dimethylamino)ethanethial
SMILESCN(C)CC=S
InChIInChI=1S/C4H9NS/c1-5(2)3-4-6/h4H,3H2,1-2H3
InChIKeyASCKGNLYTRCOKC-UHFFFAOYSA-N
XLogP0.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanethial?
The IUPAC name of 2-(dimethylamino)ethanethial (CID 22120419) is 2-(dimethylamino)ethanethial.
What is the SMILES notation for 2-(dimethylamino)ethanethial?
The canonical SMILES for 2-(dimethylamino)ethanethial is CN(C)CC=S.
What is the InChIKey of 2-(dimethylamino)ethanethial?
The InChIKey is ASCKGNLYTRCOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NS/c1-5(2)3-4-6/h4H,3H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanethial?
2-(dimethylamino)ethanethial has a molecular weight of 103.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanethial is sourced from PubChem (CID 22120419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).