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

C17H17BrN2S — CID 24797649

IUPAC1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C17H17BrN2S/c1-2-7-19-17(21)20-14-4-6-16-12(10-14)8-11-9-13(18)3-5-15(11)16/h3-6,9-10H,2,7-8H2,1H3,(H2,19,20,21)
InChIKeyQCRJNIQTHPMDFE-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.72
Rot. Bonds3

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

1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea (PubChem CID 24797649) has the molecular formula C17H17BrN2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea
PubChem CID24797649
Molecular FormulaC17H17BrN2S
Molecular Weight361.31 g/mol
Exact Mass360.03
IUPAC Name1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C17H17BrN2S/c1-2-7-19-17(21)20-14-4-6-16-12(10-14)8-11-9-13(18)3-5-15(11)16/h3-6,9-10H,2,7-8H2,1H3,(H2,19,20,21)
InChIKeyQCRJNIQTHPMDFE-UHFFFAOYSA-N
XLogP4.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-3-propylthiourea
CID 2244101
1-(5-bromo-2-chlorophenyl)-3-propylthiourea
CID 115606348
1-[2-chloro-4-(propylcarbamothioylamino)phenyl]-3-propylthiourea
CID 8668815
1-(3-bromophenyl)-3-hexylthiourea
CID 9234398
1-propyl-3-(4-sulfanylphenyl)thiourea
CID 43836141
1-(3-chloro-4-fluorophenyl)-3-propylthiourea
CID 8618876
(7-methyl-9H-fluoren-2-yl)thiourea;bis(pentane)
CID 143631346
1-[4-(diethylamino)phenyl]-3-propylthiourea
CID 7942260
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
1-(4-methylsulfanylphenyl)-3-propylthiourea
CID 115573736
1-(5-bromo-2-pyridinyl)-3-propylthiourea
CID 17254872
2-(9H-fluoren-2-ylamino)-N-propylacetamide
CID 28574289

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea?
The IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea (CID 24797649) is 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea.
What is the SMILES notation for 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea?
The canonical SMILES for 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea is CCCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea?
The InChIKey is QCRJNIQTHPMDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2S/c1-2-7-19-17(21)20-14-4-6-16-12(10-14)8-11-9-13(18)3-5-15(11)16/h3-6,9-10H,2,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea?
1-(7-bromo-9H-fluoren-2-yl)-3-propylthiourea has a molecular weight of 361.31 g/mol, XLogP of 4.72, 3 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-propylthiourea is sourced from PubChem (CID 24797649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).