[amino(thiophen-2-yl)methylidene]azanium chloride

C5H7ClN2S — CID 11171147

IUPAC[amino(thiophen-2-yl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1cccs1.[Cl-]
InChIInChI=1S/C5H6N2S.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
InChIKeyURAGJMBGNVOIJC-UHFFFAOYSA-N
MW162.65 g/mol
LogP-3.78
Rot. Bonds1

About [amino(thiophen-2-yl)methylidene]azanium chloride

[amino(thiophen-2-yl)methylidene]azanium chloride (PubChem CID 11171147) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is [amino(thiophen-2-yl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino(thiophen-2-yl)methylidene]azanium chloride
PubChem CID11171147
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name[amino(thiophen-2-yl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1cccs1.[Cl-]
InChIInChI=1S/C5H6N2S.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H
InChIKeyURAGJMBGNVOIJC-UHFFFAOYSA-N
XLogP-3.78
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 5-3.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino(thiophen-2-yl)methylidene]azanium chloride?
The IUPAC name of [amino(thiophen-2-yl)methylidene]azanium chloride (CID 11171147) is [amino(thiophen-2-yl)methylidene]azanium chloride.
What is the SMILES notation for [amino(thiophen-2-yl)methylidene]azanium chloride?
The canonical SMILES for [amino(thiophen-2-yl)methylidene]azanium chloride is NC(=[NH2+])c1cccs1.[Cl-].
What is the InChIKey of [amino(thiophen-2-yl)methylidene]azanium chloride?
The InChIKey is URAGJMBGNVOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S.ClH/c6-5(7)4-2-1-3-8-4;/h1-3H,(H3,6,7);1H.
What are the key properties of [amino(thiophen-2-yl)methylidene]azanium chloride?
[amino(thiophen-2-yl)methylidene]azanium chloride has a molecular weight of 162.65 g/mol, XLogP of -3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(thiophen-2-yl)methylidene]azanium chloride is sourced from PubChem (CID 11171147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).