[7-(dipropylamino)-9H-fluoren-2-yl]thiourea

C20H25N3S — CID 24797463

IUPAC[7-(dipropylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCN(CCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C20H25N3S/c1-3-9-23(10-4-2)17-6-8-19-15(13-17)11-14-12-16(22-20(21)24)5-7-18(14)19/h5-8,12-13H,3-4,9-11H2,1-2H3,(H3,21,22,24)
InChIKeyWIAQGCSPECLKLC-UHFFFAOYSA-N
MW339.51 g/mol
LogP4.54
Rot. Bonds6

About [7-(dipropylamino)-9H-fluoren-2-yl]thiourea

[7-(dipropylamino)-9H-fluoren-2-yl]thiourea (PubChem CID 24797463) has the molecular formula C20H25N3S and a molecular weight of 339.51 g/mol. Its IUPAC name is [7-(dipropylamino)-9H-fluoren-2-yl]thiourea.

Molecular Properties

Compound Name[7-(dipropylamino)-9H-fluoren-2-yl]thiourea
PubChem CID24797463
Molecular FormulaC20H25N3S
Molecular Weight339.51 g/mol
Exact Mass339.18
IUPAC Name[7-(dipropylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCN(CCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C20H25N3S/c1-3-9-23(10-4-2)17-6-8-19-15(13-17)11-14-12-16(22-20(21)24)5-7-18(14)19/h5-8,12-13H,3-4,9-11H2,1-2H3,(H3,21,22,24)
InChIKeyWIAQGCSPECLKLC-UHFFFAOYSA-N
XLogP4.54
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(dipropylamino)-9H-fluoren-2-yl]thiourea?
The IUPAC name of [7-(dipropylamino)-9H-fluoren-2-yl]thiourea (CID 24797463) is [7-(dipropylamino)-9H-fluoren-2-yl]thiourea.
What is the SMILES notation for [7-(dipropylamino)-9H-fluoren-2-yl]thiourea?
The canonical SMILES for [7-(dipropylamino)-9H-fluoren-2-yl]thiourea is CCCN(CCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of [7-(dipropylamino)-9H-fluoren-2-yl]thiourea?
The InChIKey is WIAQGCSPECLKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S/c1-3-9-23(10-4-2)17-6-8-19-15(13-17)11-14-12-16(22-20(21)24)5-7-18(14)19/h5-8,12-13H,3-4,9-11H2,1-2H3,(H3,21,22,24).
What are the key properties of [7-(dipropylamino)-9H-fluoren-2-yl]thiourea?
[7-(dipropylamino)-9H-fluoren-2-yl]thiourea has a molecular weight of 339.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dipropylamino)-9H-fluoren-2-yl]thiourea is sourced from PubChem (CID 24797463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).