(cyclobutylideneamino)thiourea

C5H9N3S — CID 5091999

IUPAC(cyclobutylideneamino)thiourea
SMILESNC(=S)NN=C1CCC1
InChIInChI=1S/C5H9N3S/c6-5(9)8-7-4-2-1-3-4/h1-3H2,(H3,6,8,9)
InChIKeyFFUSFXJGHCATSD-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.36
Rot. Bonds1

About (cyclobutylideneamino)thiourea

(cyclobutylideneamino)thiourea (PubChem CID 5091999) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is (cyclobutylideneamino)thiourea.

Molecular Properties

Compound Name(cyclobutylideneamino)thiourea
PubChem CID5091999
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name(cyclobutylideneamino)thiourea
SMILESNC(=S)NN=C1CCC1
InChIInChI=1S/C5H9N3S/c6-5(9)8-7-4-2-1-3-4/h1-3H2,(H3,6,8,9)
InChIKeyFFUSFXJGHCATSD-UHFFFAOYSA-N
XLogP0.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (cyclobutylideneamino)thiourea?
The IUPAC name of (cyclobutylideneamino)thiourea (CID 5091999) is (cyclobutylideneamino)thiourea.
What is the SMILES notation for (cyclobutylideneamino)thiourea?
The canonical SMILES for (cyclobutylideneamino)thiourea is NC(=S)NN=C1CCC1.
What is the InChIKey of (cyclobutylideneamino)thiourea?
The InChIKey is FFUSFXJGHCATSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c6-5(9)8-7-4-2-1-3-4/h1-3H2,(H3,6,8,9).
What are the key properties of (cyclobutylideneamino)thiourea?
(cyclobutylideneamino)thiourea has a molecular weight of 143.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclobutylideneamino)thiourea is sourced from PubChem (CID 5091999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).