1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea

C17H17N3S — CID 2397010

IUPAC1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17N3S/c1-11(2)18-17(21)20-19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3,(H2,18,20,21)
InChIKeyFFGRYKWOECJZEZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.29
Rot. Bonds2

About 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea

1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea (PubChem CID 2397010) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea
PubChem CID2397010
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17N3S/c1-11(2)18-17(21)20-19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3,(H2,18,20,21)
InChIKeyFFGRYKWOECJZEZ-UHFFFAOYSA-N
XLogP3.29
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.29
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 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea?
The IUPAC name of 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea (CID 2397010) is 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea is CC(C)NC(=S)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea?
The InChIKey is FFGRYKWOECJZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11(2)18-17(21)20-19-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3,(H2,18,20,21).
What are the key properties of 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea?
1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea has a molecular weight of 295.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoren-9-ylideneamino)-3-propan-2-ylthiourea is sourced from PubChem (CID 2397010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).