ethane;N-ethanethioylacetamide

C6H13NOS — CID 142038658

IUPACethane;N-ethanethioylacetamide
SMILESCC.CC(=O)NC(C)=S
InChIInChI=1S/C4H7NOS.C2H6/c1-3(6)5-4(2)7;1-2/h1-2H3,(H,5,6,7);1-2H3
InChIKeyBJNWJZMIUQRBCA-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.50
Rot. Bonds

About ethane;N-ethanethioylacetamide

ethane;N-ethanethioylacetamide (PubChem CID 142038658) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is ethane;N-ethanethioylacetamide.

Molecular Properties

Compound Nameethane;N-ethanethioylacetamide
PubChem CID142038658
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Nameethane;N-ethanethioylacetamide
SMILESCC.CC(=O)NC(C)=S
InChIInChI=1S/C4H7NOS.C2H6/c1-3(6)5-4(2)7;1-2/h1-2H3,(H,5,6,7);1-2H3
InChIKeyBJNWJZMIUQRBCA-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 122628439
tris(N-acetylacetamide);gallane
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N-ethanethioyl-2-methylprop-2-enamide
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tert-butyl N-ethanethioylcarbamate
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N-ethanethioyl-2-methoxyacetamide
CID 140553789
(Z)-2-(ethanethioylamino)but-2-enamide
CID 163469641
acetic acid;ethanethiohydrazide
CID 91207605
ethane;N-(pyrimidin-2-ylcarbamothioyl)acetamide
CID 91285230
ethane;methane;N-methylacetamide
CID 159401147
carbamodithioic acid;N-hydroxyacetamide
CID 174762397
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
CID 143175455
S-amino N-acetylcarbamothioate
CID 130016422

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethanethioylacetamide?
The IUPAC name of ethane;N-ethanethioylacetamide (CID 142038658) is ethane;N-ethanethioylacetamide.
What is the SMILES notation for ethane;N-ethanethioylacetamide?
The canonical SMILES for ethane;N-ethanethioylacetamide is CC.CC(=O)NC(C)=S.
What is the InChIKey of ethane;N-ethanethioylacetamide?
The InChIKey is BJNWJZMIUQRBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.C2H6/c1-3(6)5-4(2)7;1-2/h1-2H3,(H,5,6,7);1-2H3.
What are the key properties of ethane;N-ethanethioylacetamide?
ethane;N-ethanethioylacetamide has a molecular weight of 147.24 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethanethioylacetamide is sourced from PubChem (CID 142038658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).