N,N'-di(ethanethioyl)oxamide

C6H8N2O2S2 — CID 122628439

IUPACN,N'-di(ethanethioyl)oxamide
SMILESCC(=S)NC(=O)C(=O)NC(C)=S
InChIInChI=1S/C6H8N2O2S2/c1-3(11)7-5(9)6(10)8-4(2)12/h1-2H3,(H,7,9,11)(H,8,10,12)
InChIKeySWQSFPIUPZYARJ-UHFFFAOYSA-N
MW204.28 g/mol
LogP-0.09
Rot. Bonds

About N,N'-di(ethanethioyl)oxamide

N,N'-di(ethanethioyl)oxamide (PubChem CID 122628439) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is N,N'-di(ethanethioyl)oxamide.

Molecular Properties

Compound NameN,N'-di(ethanethioyl)oxamide
PubChem CID122628439
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC NameN,N'-di(ethanethioyl)oxamide
SMILESCC(=S)NC(=O)C(=O)NC(C)=S
InChIInChI=1S/C6H8N2O2S2/c1-3(11)7-5(9)6(10)8-4(2)12/h1-2H3,(H,7,9,11)(H,8,10,12)
InChIKeySWQSFPIUPZYARJ-UHFFFAOYSA-N
XLogP-0.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-ethanethioylcarbamate
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(Z)-2-(ethanethioylamino)but-2-enamide
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acetic acid;ethanethiohydrazide
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2-sulfanylidenepropanehydrazide
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acetylene;propan-2-one
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propan-2-one;sulfur monoxide
CID 21387950
CID 5356914
CID 5356914
N-ethanethioyl-2,6-dimethoxybenzamide
CID 849614

Frequently Asked Questions

What is the IUPAC name of N,N'-di(ethanethioyl)oxamide?
The IUPAC name of N,N'-di(ethanethioyl)oxamide (CID 122628439) is N,N'-di(ethanethioyl)oxamide.
What is the SMILES notation for N,N'-di(ethanethioyl)oxamide?
The canonical SMILES for N,N'-di(ethanethioyl)oxamide is CC(=S)NC(=O)C(=O)NC(C)=S.
What is the InChIKey of N,N'-di(ethanethioyl)oxamide?
The InChIKey is SWQSFPIUPZYARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-3(11)7-5(9)6(10)8-4(2)12/h1-2H3,(H,7,9,11)(H,8,10,12).
What are the key properties of N,N'-di(ethanethioyl)oxamide?
N,N'-di(ethanethioyl)oxamide has a molecular weight of 204.28 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(ethanethioyl)oxamide is sourced from PubChem (CID 122628439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).