(thiophen-2-ylmethylideneamino)thiourea

C6H7N3S2 — CID 692778

IUPAC(thiophen-2-ylmethylideneamino)thiourea
SMILESNC(=S)NN=Cc1cccs1
InChIInChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)
InChIKeyYNTKURSKMLATKI-UHFFFAOYSA-N
MW185.28 g/mol
LogP0.92
Rot. Bonds2

About (thiophen-2-ylmethylideneamino)thiourea

(thiophen-2-ylmethylideneamino)thiourea (PubChem CID 692778) has the molecular formula C6H7N3S2 and a molecular weight of 185.28 g/mol. Its IUPAC name is (thiophen-2-ylmethylideneamino)thiourea.

Molecular Properties

Compound Name(thiophen-2-ylmethylideneamino)thiourea
PubChem CID692778
Molecular FormulaC6H7N3S2
Molecular Weight185.28 g/mol
Exact Mass185.01
IUPAC Name(thiophen-2-ylmethylideneamino)thiourea
SMILESNC(=S)NN=Cc1cccs1
InChIInChI=1S/C6H7N3S2/c7-6(10)9-8-4-5-2-1-3-11-5/h1-4H,(H3,7,9,10)
InChIKeyYNTKURSKMLATKI-UHFFFAOYSA-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 (thiophen-2-ylmethylideneamino)thiourea?
The IUPAC name of (thiophen-2-ylmethylideneamino)thiourea (CID 692778) is (thiophen-2-ylmethylideneamino)thiourea.
What is the SMILES notation for (thiophen-2-ylmethylideneamino)thiourea?
The canonical SMILES for (thiophen-2-ylmethylideneamino)thiourea is NC(=S)NN=Cc1cccs1.
What is the InChIKey of (thiophen-2-ylmethylideneamino)thiourea?
The InChIKey is YNTKURSKMLATKI-UHFFFAOYSA-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).
What are the key properties of (thiophen-2-ylmethylideneamino)thiourea?
(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 (thiophen-2-ylmethylideneamino)thiourea is sourced from PubChem (CID 692778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).