(7-bromo-9-oxofluoren-2-yl)thiourea

C14H9BrN2OS — CID 24797460

IUPAC(7-bromo-9-oxofluoren-2-yl)thiourea
SMILESNC(=S)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2
InChIInChI=1S/C14H9BrN2OS/c15-7-1-3-9-10-4-2-8(17-14(16)19)6-12(10)13(18)11(9)5-7/h1-6H,(H3,16,17,19)
InChIKeyOORMLZDAKBDKOB-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.32
Rot. Bonds1

About (7-bromo-9-oxofluoren-2-yl)thiourea

(7-bromo-9-oxofluoren-2-yl)thiourea (PubChem CID 24797460) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is (7-bromo-9-oxofluoren-2-yl)thiourea.

Molecular Properties

Compound Name(7-bromo-9-oxofluoren-2-yl)thiourea
PubChem CID24797460
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name(7-bromo-9-oxofluoren-2-yl)thiourea
SMILESNC(=S)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2
InChIInChI=1S/C14H9BrN2OS/c15-7-1-3-9-10-4-2-8(17-14(16)19)6-12(10)13(18)11(9)5-7/h1-6H,(H3,16,17,19)
InChIKeyOORMLZDAKBDKOB-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-bromo-9H-fluoren-2-yl)thiourea
CID 18536940
2-Amino-3-bromo-9-fluorenone
CID 224110
N-[(3-acetylphenyl)carbamothioyl]-4-bromobenzamide
CID 1348860
2-Amino-7-bromo-9-fluorenone
CID 259919
2-Amino-6-bromo-9h-fluoren-9-one
CID 259932
(9-Oxofluoren-3-yl)thiourea
CID 49773193
3-Bromo-2-(ethylamino)-9h-fluoren-9-one
CID 224111
n-(3-Bromo-9-oxo-9h-fluoren-2-yl)-2,2,2-trifluoroacetamide
CID 254999
N-[(2-bromo-4,5-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 1242100
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 1027690
2-Bromo-7-(dimethylamino)fluoren-9-one
CID 267216
(9-Oxofluoren-2-yl)thiourea
CID 49773192

Frequently Asked Questions

What is the IUPAC name of (7-bromo-9-oxofluoren-2-yl)thiourea?
The IUPAC name of (7-bromo-9-oxofluoren-2-yl)thiourea (CID 24797460) is (7-bromo-9-oxofluoren-2-yl)thiourea.
What is the SMILES notation for (7-bromo-9-oxofluoren-2-yl)thiourea?
The canonical SMILES for (7-bromo-9-oxofluoren-2-yl)thiourea is NC(=S)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2.
What is the InChIKey of (7-bromo-9-oxofluoren-2-yl)thiourea?
The InChIKey is OORMLZDAKBDKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-7-1-3-9-10-4-2-8(17-14(16)19)6-12(10)13(18)11(9)5-7/h1-6H,(H3,16,17,19).
What are the key properties of (7-bromo-9-oxofluoren-2-yl)thiourea?
(7-bromo-9-oxofluoren-2-yl)thiourea has a molecular weight of 333.21 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-9-oxofluoren-2-yl)thiourea is sourced from PubChem (CID 24797460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).