1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea

C8H15FN2S — CID 130688646

IUPAC1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CF)NC(=S)NC1CC1
InChIInChI=1S/C8H15FN2S/c1-8(2,5-9)11-7(12)10-6-3-4-6/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyLVYISEPFSBGLGQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.36
Rot. Bonds3

About 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea

1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea (PubChem CID 130688646) has the molecular formula C8H15FN2S and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea
PubChem CID130688646
Molecular FormulaC8H15FN2S
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CF)NC(=S)NC1CC1
InChIInChI=1S/C8H15FN2S/c1-8(2,5-9)11-7(12)10-6-3-4-6/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyLVYISEPFSBGLGQ-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea (CID 130688646) is 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea is CC(C)(CF)NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea?
The InChIKey is LVYISEPFSBGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2S/c1-8(2,5-9)11-7(12)10-6-3-4-6/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea?
1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea has a molecular weight of 190.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-fluoro-2-methylpropan-2-yl)thiourea is sourced from PubChem (CID 130688646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).