N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide

C8H9NOS2 — CID 15272507

IUPACN,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide
SMILESCN(C)C(=S)C(=O)c1cccs1
InChIInChI=1S/C8H9NOS2/c1-9(2)8(11)7(10)6-4-3-5-12-6/h3-5H,1-2H3
InChIKeyZEVCUSLWMIUBMT-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.82
Rot. Bonds2

About N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide

N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide (PubChem CID 15272507) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide
PubChem CID15272507
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC NameN,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide
SMILESCN(C)C(=S)C(=O)c1cccs1
InChIInChI=1S/C8H9NOS2/c1-9(2)8(11)7(10)6-4-3-5-12-6/h3-5H,1-2H3
InChIKeyZEVCUSLWMIUBMT-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide?
The IUPAC name of N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide (CID 15272507) is N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide?
The canonical SMILES for N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide is CN(C)C(=S)C(=O)c1cccs1.
What is the InChIKey of N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide?
The InChIKey is ZEVCUSLWMIUBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c1-9(2)8(11)7(10)6-4-3-5-12-6/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide?
N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide has a molecular weight of 199.30 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-2-thiophen-2-ylethanethioamide is sourced from PubChem (CID 15272507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).