2-(thiophen-2-ylamino)ethanethioamide

C6H8N2S2 — CID 19996060

IUPAC2-(thiophen-2-ylamino)ethanethioamide
SMILESNC(=S)CNc1cccs1
InChIInChI=1S/C6H8N2S2/c7-5(9)4-8-6-2-1-3-10-6/h1-3,8H,4H2,(H2,7,9)
InChIKeyUHSKZTCTRVUHFF-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.45
Rot. Bonds3

About 2-(thiophen-2-ylamino)ethanethioamide

2-(thiophen-2-ylamino)ethanethioamide (PubChem CID 19996060) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-(thiophen-2-ylamino)ethanethioamide.

Molecular Properties

Compound Name2-(thiophen-2-ylamino)ethanethioamide
PubChem CID19996060
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-(thiophen-2-ylamino)ethanethioamide
SMILESNC(=S)CNc1cccs1
InChIInChI=1S/C6H8N2S2/c7-5(9)4-8-6-2-1-3-10-6/h1-3,8H,4H2,(H2,7,9)
InChIKeyUHSKZTCTRVUHFF-UHFFFAOYSA-N
XLogP1.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
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 2-(thiophen-2-ylamino)ethanethioamide?
The IUPAC name of 2-(thiophen-2-ylamino)ethanethioamide (CID 19996060) is 2-(thiophen-2-ylamino)ethanethioamide.
What is the SMILES notation for 2-(thiophen-2-ylamino)ethanethioamide?
The canonical SMILES for 2-(thiophen-2-ylamino)ethanethioamide is NC(=S)CNc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylamino)ethanethioamide?
The InChIKey is UHSKZTCTRVUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c7-5(9)4-8-6-2-1-3-10-6/h1-3,8H,4H2,(H2,7,9).
What are the key properties of 2-(thiophen-2-ylamino)ethanethioamide?
2-(thiophen-2-ylamino)ethanethioamide has a molecular weight of 172.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylamino)ethanethioamide is sourced from PubChem (CID 19996060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).