[fluoro(pentyl)amino]thiourea

C6H14FN3S — CID 88665076

IUPAC[fluoro(pentyl)amino]thiourea
SMILESCCCCCN(F)NC(N)=S
InChIInChI=1S/C6H14FN3S/c1-2-3-4-5-10(7)9-6(8)11/h2-5H2,1H3,(H3,8,9,11)
InChIKeyZNONNHYIKXNOBK-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.11
Rot. Bonds5

About [fluoro(pentyl)amino]thiourea

[fluoro(pentyl)amino]thiourea (PubChem CID 88665076) has the molecular formula C6H14FN3S and a molecular weight of 179.26 g/mol. Its IUPAC name is [fluoro(pentyl)amino]thiourea.

Molecular Properties

Compound Name[fluoro(pentyl)amino]thiourea
PubChem CID88665076
Molecular FormulaC6H14FN3S
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Name[fluoro(pentyl)amino]thiourea
SMILESCCCCCN(F)NC(N)=S
InChIInChI=1S/C6H14FN3S/c1-2-3-4-5-10(7)9-6(8)11/h2-5H2,1H3,(H3,8,9,11)
InChIKeyZNONNHYIKXNOBK-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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 [fluoro(pentyl)amino]thiourea?
The IUPAC name of [fluoro(pentyl)amino]thiourea (CID 88665076) is [fluoro(pentyl)amino]thiourea.
What is the SMILES notation for [fluoro(pentyl)amino]thiourea?
The canonical SMILES for [fluoro(pentyl)amino]thiourea is CCCCCN(F)NC(N)=S.
What is the InChIKey of [fluoro(pentyl)amino]thiourea?
The InChIKey is ZNONNHYIKXNOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3S/c1-2-3-4-5-10(7)9-6(8)11/h2-5H2,1H3,(H3,8,9,11).
What are the key properties of [fluoro(pentyl)amino]thiourea?
[fluoro(pentyl)amino]thiourea has a molecular weight of 179.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(pentyl)amino]thiourea is sourced from PubChem (CID 88665076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).