(thiophene-2-carbonylamino)thiourea

C6H7N3OS2 — CID 716850

IUPAC(thiophene-2-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C6H7N3OS2/c7-6(11)9-8-5(10)4-2-1-3-12-4/h1-3H,(H,8,10)(H3,7,9,11)
InChIKeyCEFSXQJUPHMPAA-UHFFFAOYSA-N
MW201.28 g/mol
LogP0.23
Rot. Bonds1

About (thiophene-2-carbonylamino)thiourea

(thiophene-2-carbonylamino)thiourea (PubChem CID 716850) has the molecular formula C6H7N3OS2 and a molecular weight of 201.28 g/mol. Its IUPAC name is (thiophene-2-carbonylamino)thiourea.

Molecular Properties

Compound Name(thiophene-2-carbonylamino)thiourea
PubChem CID716850
Molecular FormulaC6H7N3OS2
Molecular Weight201.28 g/mol
Exact Mass201.00
IUPAC Name(thiophene-2-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1cccs1
InChIInChI=1S/C6H7N3OS2/c7-6(11)9-8-5(10)4-2-1-3-12-4/h1-3H,(H,8,10)(H3,7,9,11)
InChIKeyCEFSXQJUPHMPAA-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (thiophene-2-carbonylamino)thiourea?
The IUPAC name of (thiophene-2-carbonylamino)thiourea (CID 716850) is (thiophene-2-carbonylamino)thiourea.
What is the SMILES notation for (thiophene-2-carbonylamino)thiourea?
The canonical SMILES for (thiophene-2-carbonylamino)thiourea is NC(=S)NNC(=O)c1cccs1.
What is the InChIKey of (thiophene-2-carbonylamino)thiourea?
The InChIKey is CEFSXQJUPHMPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS2/c7-6(11)9-8-5(10)4-2-1-3-12-4/h1-3H,(H,8,10)(H3,7,9,11).
What are the key properties of (thiophene-2-carbonylamino)thiourea?
(thiophene-2-carbonylamino)thiourea has a molecular weight of 201.28 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (thiophene-2-carbonylamino)thiourea is sourced from PubChem (CID 716850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).