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

C22H29N3S — CID 24797464

IUPAC[7-(dibutylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCCN(CCCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C22H29N3S/c1-3-5-11-25(12-6-4-2)19-8-10-21-17(15-19)13-16-14-18(24-22(23)26)7-9-20(16)21/h7-10,14-15H,3-6,11-13H2,1-2H3,(H3,23,24,26)
InChIKeyWREUZWMVENJQSM-UHFFFAOYSA-N
MW367.56 g/mol
LogP5.32
Rot. Bonds8

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

[7-(dibutylamino)-9H-fluoren-2-yl]thiourea (PubChem CID 24797464) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is [7-(dibutylamino)-9H-fluoren-2-yl]thiourea.

Molecular Properties

Compound Name[7-(dibutylamino)-9H-fluoren-2-yl]thiourea
PubChem CID24797464
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name[7-(dibutylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCCN(CCCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C22H29N3S/c1-3-5-11-25(12-6-4-2)19-8-10-21-17(15-19)13-16-14-18(24-22(23)26)7-9-20(16)21/h7-10,14-15H,3-6,11-13H2,1-2H3,(H3,23,24,26)
InChIKeyWREUZWMVENJQSM-UHFFFAOYSA-N
XLogP5.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(dibutylamino)-9H-fluoren-2-yl]thiourea?
The IUPAC name of [7-(dibutylamino)-9H-fluoren-2-yl]thiourea (CID 24797464) is [7-(dibutylamino)-9H-fluoren-2-yl]thiourea.
What is the SMILES notation for [7-(dibutylamino)-9H-fluoren-2-yl]thiourea?
The canonical SMILES for [7-(dibutylamino)-9H-fluoren-2-yl]thiourea is CCCCN(CCCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of [7-(dibutylamino)-9H-fluoren-2-yl]thiourea?
The InChIKey is WREUZWMVENJQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-3-5-11-25(12-6-4-2)19-8-10-21-17(15-19)13-16-14-18(24-22(23)26)7-9-20(16)21/h7-10,14-15H,3-6,11-13H2,1-2H3,(H3,23,24,26).
What are the key properties of [7-(dibutylamino)-9H-fluoren-2-yl]thiourea?
[7-(dibutylamino)-9H-fluoren-2-yl]thiourea has a molecular weight of 367.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dibutylamino)-9H-fluoren-2-yl]thiourea is sourced from PubChem (CID 24797464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).