[(E)-thiophen-2-ylmethylideneamino]thiourea

C6H7N3S2 — CID 6861431

IUPAC[(E)-thiophen-2-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cccs1
InChIInChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
InChIKeyYNTKURSKMLATKI-XBXARRHUSA-N
MW185.28 g/mol
LogP0.92
Rot. Bonds2

About [(E)-thiophen-2-ylmethylideneamino]thiourea

[(E)-thiophen-2-ylmethylideneamino]thiourea (PubChem CID 6861431) has the molecular formula C6H7N3S2 and a molecular weight of 185.28 g/mol. Its IUPAC name is [(E)-thiophen-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-thiophen-2-ylmethylideneamino]thiourea
PubChem CID6861431
Molecular FormulaC6H7N3S2
Molecular Weight185.28 g/mol
Exact Mass185.01
IUPAC Name[(E)-thiophen-2-ylmethylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cccs1
InChIInChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+
InChIKeyYNTKURSKMLATKI-XBXARRHUSA-N
XLogP0.92
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-thiophen-2-ylmethylideneamino]thiourea?
The IUPAC name of [(E)-thiophen-2-ylmethylideneamino]thiourea (CID 6861431) is [(E)-thiophen-2-ylmethylideneamino]thiourea.
What is the SMILES notation for [(E)-thiophen-2-ylmethylideneamino]thiourea?
The canonical SMILES for [(E)-thiophen-2-ylmethylideneamino]thiourea is NC(=S)N/N=C/c1cccs1.
What is the InChIKey of [(E)-thiophen-2-ylmethylideneamino]thiourea?
The InChIKey is YNTKURSKMLATKI-XBXARRHUSA-N. The full InChI is InChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)/b8-4+.
What are the key properties of [(E)-thiophen-2-ylmethylideneamino]thiourea?
[(E)-thiophen-2-ylmethylideneamino]thiourea has a molecular weight of 185.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-thiophen-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 6861431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).