1-(7-bromo-9H-fluoren-2-yl)hexylthiourea

C20H23BrN2S — CID 175374983

IUPAC1-(7-bromo-9H-fluoren-2-yl)hexylthiourea
SMILESCCCCCC(NC(N)=S)c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C20H23BrN2S/c1-2-3-4-5-19(23-20(22)24)13-6-8-17-14(10-13)11-15-12-16(21)7-9-18(15)17/h6-10,12,19H,2-5,11H2,1H3,(H3,22,23,24)
InChIKeyXSGVBGXVADDLNP-UHFFFAOYSA-N
MW403.39 g/mol
LogP5.47
Rot. Bonds6

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

1-(7-bromo-9H-fluoren-2-yl)hexylthiourea (PubChem CID 175374983) has the molecular formula C20H23BrN2S and a molecular weight of 403.39 g/mol. Its IUPAC name is 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea.

Molecular Properties

Compound Name1-(7-bromo-9H-fluoren-2-yl)hexylthiourea
PubChem CID175374983
Molecular FormulaC20H23BrN2S
Molecular Weight403.39 g/mol
Exact Mass402.08
IUPAC Name1-(7-bromo-9H-fluoren-2-yl)hexylthiourea
SMILESCCCCCC(NC(N)=S)c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C20H23BrN2S/c1-2-3-4-5-19(23-20(22)24)13-6-8-17-14(10-13)11-15-12-16(21)7-9-18(15)17/h6-10,12,19H,2-5,11H2,1H3,(H3,22,23,24)
InChIKeyXSGVBGXVADDLNP-UHFFFAOYSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.39
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylhexylthiourea
CID 122437154
1-(6-bromonaphthalen-2-yl)-N-methylheptan-1-amine
CID 115833804
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
3-(9H-fluoren-2-yl)-3-(propylamino)propan-1-ol
CID 64814899

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea?
The IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea (CID 175374983) is 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea.
What is the SMILES notation for 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea?
The canonical SMILES for 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea is CCCCCC(NC(N)=S)c1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea?
The InChIKey is XSGVBGXVADDLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2S/c1-2-3-4-5-19(23-20(22)24)13-6-8-17-14(10-13)11-15-12-16(21)7-9-18(15)17/h6-10,12,19H,2-5,11H2,1H3,(H3,22,23,24).
What are the key properties of 1-(7-bromo-9H-fluoren-2-yl)hexylthiourea?
1-(7-bromo-9H-fluoren-2-yl)hexylthiourea has a molecular weight of 403.39 g/mol, XLogP of 5.47, 6 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)hexylthiourea is sourced from PubChem (CID 175374983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).