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

C16H15BrN2S — CID 24797648

IUPAC1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C16H15BrN2S/c1-2-18-16(20)19-13-4-6-15-11(9-13)7-10-8-12(17)3-5-14(10)15/h3-6,8-9H,2,7H2,1H3,(H2,18,19,20)
InChIKeyGFYIBDPVRVQVDP-UHFFFAOYSA-N
MW347.28 g/mol
LogP4.33
Rot. Bonds2

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

1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea (PubChem CID 24797648) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea
PubChem CID24797648
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC Name1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C16H15BrN2S/c1-2-18-16(20)19-13-4-6-15-11(9-13)7-10-8-12(17)3-5-14(10)15/h3-6,8-9H,2,7H2,1H3,(H2,18,19,20)
InChIKeyGFYIBDPVRVQVDP-UHFFFAOYSA-N
XLogP4.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 54.33
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

(7-bromo-9H-fluoren-2-yl)thiourea
CID 18536940
[7-(diethylamino)-9H-fluoren-2-yl]thiourea
CID 24797462
(7-Dipropylamino-9H-fluoren-2-yl)-thiourea
CID 24797463
[7-(dibutylamino)-9H-fluoren-2-yl]thiourea
CID 24797464
[7-(propylamino)-9H-fluoren-2-yl]thiourea
CID 24797553
[7-(butylamino)-9H-fluoren-2-yl]thiourea
CID 24797554
[7-(benzylamino)-9H-fluoren-2-yl]thiourea
CID 49773456
[7-(dimethylamino)-9H-fluoren-2-yl]thiourea
CID 24797461
7-bromo-N,N-dimethyl-9H-fluoren-2-amine
CID 24858056
7-bromo-N-methyl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-9H-fluoren-2-amine
CID 52915414
7-bromo-N-[(1,2,2,5,5-pentamethylpyrrol-3-yl)methyl]-9H-fluoren-2-amine
CID 52915418
7-bromo-N-[(1-hydroxy-2,2,6,6-tetramethyl-3H-pyridin-4-yl)methyl]-9H-fluoren-2-amine;dihydrochloride
CID 54586839

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea?
The IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea (CID 24797648) is 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea.
What is the SMILES notation for 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea?
The canonical SMILES for 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea is CCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea?
The InChIKey is GFYIBDPVRVQVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-2-18-16(20)19-13-4-6-15-11(9-13)7-10-8-12(17)3-5-14(10)15/h3-6,8-9H,2,7H2,1H3,(H2,18,19,20).
What are the key properties of 1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea?
1-(7-bromo-9H-fluoren-2-yl)-3-ethylthiourea has a molecular weight of 347.28 g/mol, XLogP of 4.33, 2 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-ethylthiourea is sourced from PubChem (CID 24797648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).