N-[amino(thiophen-3-yl)methylidene]ethanethioamide

C7H8N2S2 — CID 144541548

IUPACN-[amino(thiophen-3-yl)methylidene]ethanethioamide
SMILESCC(=S)/N=C(\N)c1ccsc1
InChIInChI=1S/C7H8N2S2/c1-5(10)9-7(8)6-2-3-11-4-6/h2-4H,1H3,(H2,8,9,10)
InChIKeyAJRUIUXYWIBBBD-UHFFFAOYSA-N
MW184.29 g/mol
LogP1.80
Rot. Bonds1

About N-[amino(thiophen-3-yl)methylidene]ethanethioamide

N-[amino(thiophen-3-yl)methylidene]ethanethioamide (PubChem CID 144541548) has the molecular formula C7H8N2S2 and a molecular weight of 184.29 g/mol. Its IUPAC name is N-[amino(thiophen-3-yl)methylidene]ethanethioamide.

Molecular Properties

Compound NameN-[amino(thiophen-3-yl)methylidene]ethanethioamide
PubChem CID144541548
Molecular FormulaC7H8N2S2
Molecular Weight184.29 g/mol
Exact Mass184.01
IUPAC NameN-[amino(thiophen-3-yl)methylidene]ethanethioamide
SMILESCC(=S)/N=C(\N)c1ccsc1
InChIInChI=1S/C7H8N2S2/c1-5(10)9-7(8)6-2-3-11-4-6/h2-4H,1H3,(H2,8,9,10)
InChIKeyAJRUIUXYWIBBBD-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(thiophen-3-yl)methylidene]ethanethioamide?
The IUPAC name of N-[amino(thiophen-3-yl)methylidene]ethanethioamide (CID 144541548) is N-[amino(thiophen-3-yl)methylidene]ethanethioamide.
What is the SMILES notation for N-[amino(thiophen-3-yl)methylidene]ethanethioamide?
The canonical SMILES for N-[amino(thiophen-3-yl)methylidene]ethanethioamide is CC(=S)/N=C(\N)c1ccsc1.
What is the InChIKey of N-[amino(thiophen-3-yl)methylidene]ethanethioamide?
The InChIKey is AJRUIUXYWIBBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2/c1-5(10)9-7(8)6-2-3-11-4-6/h2-4H,1H3,(H2,8,9,10).
What are the key properties of N-[amino(thiophen-3-yl)methylidene]ethanethioamide?
N-[amino(thiophen-3-yl)methylidene]ethanethioamide has a molecular weight of 184.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(thiophen-3-yl)methylidene]ethanethioamide is sourced from PubChem (CID 144541548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).