[(2,7-dibromofluoren-9-ylidene)amino]thiourea

C14H9Br2N3S — CID 3032999

IUPAC[(2,7-dibromofluoren-9-ylidene)amino]thiourea
SMILESNC(=S)NN=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C14H9Br2N3S/c15-7-1-3-9-10-4-2-8(16)6-12(10)13(11(9)5-7)18-19-14(17)20/h1-6H,(H3,17,19,20)
InChIKeyUEANXDHFIYOFTD-UHFFFAOYSA-N
MW411.12 g/mol
LogP3.78
Rot. Bonds1

About [(2,7-dibromofluoren-9-ylidene)amino]thiourea

[(2,7-dibromofluoren-9-ylidene)amino]thiourea (PubChem CID 3032999) has the molecular formula C14H9Br2N3S and a molecular weight of 411.12 g/mol. Its IUPAC name is [(2,7-dibromofluoren-9-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(2,7-dibromofluoren-9-ylidene)amino]thiourea
PubChem CID3032999
Molecular FormulaC14H9Br2N3S
Molecular Weight411.12 g/mol
Exact Mass408.89
IUPAC Name[(2,7-dibromofluoren-9-ylidene)amino]thiourea
SMILESNC(=S)NN=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C14H9Br2N3S/c15-7-1-3-9-10-4-2-8(16)6-12(10)13(11(9)5-7)18-19-14(17)20/h1-6H,(H3,17,19,20)
InChIKeyUEANXDHFIYOFTD-UHFFFAOYSA-N
XLogP3.78
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.12
LogP ≤ 53.78
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 [(2,7-dibromofluoren-9-ylidene)amino]thiourea?
The IUPAC name of [(2,7-dibromofluoren-9-ylidene)amino]thiourea (CID 3032999) is [(2,7-dibromofluoren-9-ylidene)amino]thiourea.
What is the SMILES notation for [(2,7-dibromofluoren-9-ylidene)amino]thiourea?
The canonical SMILES for [(2,7-dibromofluoren-9-ylidene)amino]thiourea is NC(=S)NN=C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of [(2,7-dibromofluoren-9-ylidene)amino]thiourea?
The InChIKey is UEANXDHFIYOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3S/c15-7-1-3-9-10-4-2-8(16)6-12(10)13(11(9)5-7)18-19-14(17)20/h1-6H,(H3,17,19,20).
What are the key properties of [(2,7-dibromofluoren-9-ylidene)amino]thiourea?
[(2,7-dibromofluoren-9-ylidene)amino]thiourea has a molecular weight of 411.12 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,7-dibromofluoren-9-ylidene)amino]thiourea is sourced from PubChem (CID 3032999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).