(cyclopropylamino)thiourea

C4H9N3S — CID 86616261

IUPAC(cyclopropylamino)thiourea
SMILESNC(=S)NNC1CC1
InChIInChI=1S/C4H9N3S/c5-4(8)7-6-3-1-2-3/h3,6H,1-2H2,(H3,5,7,8)
InChIKeyHVUQYAMRYXIUNZ-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.51
Rot. Bonds2

About (cyclopropylamino)thiourea

(cyclopropylamino)thiourea (PubChem CID 86616261) has the molecular formula C4H9N3S and a molecular weight of 131.20 g/mol. Its IUPAC name is (cyclopropylamino)thiourea.

Molecular Properties

Compound Name(cyclopropylamino)thiourea
PubChem CID86616261
Molecular FormulaC4H9N3S
Molecular Weight131.20 g/mol
Exact Mass131.05
IUPAC Name(cyclopropylamino)thiourea
SMILESNC(=S)NNC1CC1
InChIInChI=1S/C4H9N3S/c5-4(8)7-6-3-1-2-3/h3,6H,1-2H2,(H3,5,7,8)
InChIKeyHVUQYAMRYXIUNZ-UHFFFAOYSA-N
XLogP-0.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (cyclopropylamino)thiourea?
The IUPAC name of (cyclopropylamino)thiourea (CID 86616261) is (cyclopropylamino)thiourea.
What is the SMILES notation for (cyclopropylamino)thiourea?
The canonical SMILES for (cyclopropylamino)thiourea is NC(=S)NNC1CC1.
What is the InChIKey of (cyclopropylamino)thiourea?
The InChIKey is HVUQYAMRYXIUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3S/c5-4(8)7-6-3-1-2-3/h3,6H,1-2H2,(H3,5,7,8).
What are the key properties of (cyclopropylamino)thiourea?
(cyclopropylamino)thiourea has a molecular weight of 131.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropylamino)thiourea is sourced from PubChem (CID 86616261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).