(fluoren-9-ylideneamino)thiourea

C14H11N3S — CID 690107

IUPAC(fluoren-9-ylideneamino)thiourea
SMILESNC(=S)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H11N3S/c15-14(18)17-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H3,15,17,18)
InChIKeyIFLBOZZHJPAFBK-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.25
Rot. Bonds1

About (fluoren-9-ylideneamino)thiourea

(fluoren-9-ylideneamino)thiourea (PubChem CID 690107) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is (fluoren-9-ylideneamino)thiourea.

Molecular Properties

Compound Name(fluoren-9-ylideneamino)thiourea
PubChem CID690107
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name(fluoren-9-ylideneamino)thiourea
SMILESNC(=S)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H11N3S/c15-14(18)17-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H3,15,17,18)
InChIKeyIFLBOZZHJPAFBK-UHFFFAOYSA-N
XLogP2.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.25
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 (fluoren-9-ylideneamino)thiourea?
The IUPAC name of (fluoren-9-ylideneamino)thiourea (CID 690107) is (fluoren-9-ylideneamino)thiourea.
What is the SMILES notation for (fluoren-9-ylideneamino)thiourea?
The canonical SMILES for (fluoren-9-ylideneamino)thiourea is NC(=S)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of (fluoren-9-ylideneamino)thiourea?
The InChIKey is IFLBOZZHJPAFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c15-14(18)17-16-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,(H3,15,17,18).
What are the key properties of (fluoren-9-ylideneamino)thiourea?
(fluoren-9-ylideneamino)thiourea has a molecular weight of 253.33 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino)thiourea is sourced from PubChem (CID 690107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).