1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea

C15H13BrN2S — CID 24797559

IUPAC1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C15H13BrN2S/c1-17-15(19)18-12-3-5-14-10(8-12)6-9-7-11(16)2-4-13(9)14/h2-5,7-8H,6H2,1H3,(H2,17,18,19)
InChIKeyGLQTVCSMVNKIHA-UHFFFAOYSA-N
MW333.25 g/mol
LogP3.94
Rot. Bonds1

About 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea

1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea (PubChem CID 24797559) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea.

Molecular Properties

Compound Name1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea
PubChem CID24797559
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C15H13BrN2S/c1-17-15(19)18-12-3-5-14-10(8-12)6-9-7-11(16)2-4-13(9)14/h2-5,7-8H,6H2,1H3,(H2,17,18,19)
InChIKeyGLQTVCSMVNKIHA-UHFFFAOYSA-N
XLogP3.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea?
The IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea (CID 24797559) is 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea.
What is the SMILES notation for 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea?
The canonical SMILES for 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea is CNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea?
The InChIKey is GLQTVCSMVNKIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-17-15(19)18-12-3-5-14-10(8-12)6-9-7-11(16)2-4-13(9)14/h2-5,7-8H,6H2,1H3,(H2,17,18,19).
What are the key properties of 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea?
1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea has a molecular weight of 333.25 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-9H-fluoren-2-yl)-3-methylthiourea is sourced from PubChem (CID 24797559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).