1-ethyl-3-(fluoren-9-ylideneamino)thiourea

C16H15N3S — CID 2642265

IUPAC1-ethyl-3-(fluoren-9-ylideneamino)thiourea
SMILESCCNC(=S)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H15N3S/c1-2-17-16(20)19-18-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3,(H2,17,19,20)
InChIKeyMDZZWZVMJUEZSE-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.90
Rot. Bonds2

About 1-ethyl-3-(fluoren-9-ylideneamino)thiourea

1-ethyl-3-(fluoren-9-ylideneamino)thiourea (PubChem CID 2642265) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-ethyl-3-(fluoren-9-ylideneamino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(fluoren-9-ylideneamino)thiourea
PubChem CID2642265
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name1-ethyl-3-(fluoren-9-ylideneamino)thiourea
SMILESCCNC(=S)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H15N3S/c1-2-17-16(20)19-18-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3,(H2,17,19,20)
InChIKeyMDZZWZVMJUEZSE-UHFFFAOYSA-N
XLogP2.90
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.90
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-ethyl-3-(fluoren-9-ylideneamino)thiourea?
The IUPAC name of 1-ethyl-3-(fluoren-9-ylideneamino)thiourea (CID 2642265) is 1-ethyl-3-(fluoren-9-ylideneamino)thiourea.
What is the SMILES notation for 1-ethyl-3-(fluoren-9-ylideneamino)thiourea?
The canonical SMILES for 1-ethyl-3-(fluoren-9-ylideneamino)thiourea is CCNC(=S)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-ethyl-3-(fluoren-9-ylideneamino)thiourea?
The InChIKey is MDZZWZVMJUEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-17-16(20)19-18-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3,(H2,17,19,20).
What are the key properties of 1-ethyl-3-(fluoren-9-ylideneamino)thiourea?
1-ethyl-3-(fluoren-9-ylideneamino)thiourea has a molecular weight of 281.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(fluoren-9-ylideneamino)thiourea is sourced from PubChem (CID 2642265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).