1-(5-bromo-2-chlorophenyl)-3-propylthiourea

C10H12BrClN2S — CID 115606348

IUPAC1-(5-bromo-2-chlorophenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2S/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChIKeyFGNUSUIJOYLBML-UHFFFAOYSA-N
MW307.64 g/mol
LogP3.80
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-3-propylthiourea

1-(5-bromo-2-chlorophenyl)-3-propylthiourea (PubChem CID 115606348) has the molecular formula C10H12BrClN2S and a molecular weight of 307.64 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-3-propylthiourea
PubChem CID115606348
Molecular FormulaC10H12BrClN2S
Molecular Weight307.64 g/mol
Exact Mass305.96
IUPAC Name1-(5-bromo-2-chlorophenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C10H12BrClN2S/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChIKeyFGNUSUIJOYLBML-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.64
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-chlorophenyl)-3-propylthiourea 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-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
1-(4-bromo-2-chlorophenyl)-3-octylthiourea
CID 19651039
1-(4-bromo-2-chlorophenyl)-3-undecylthiourea
CID 19651304
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-[2-chloro-4-(propylcarbamothioylamino)phenyl]-3-propylthiourea
CID 8668815
1-(4-bromophenyl)-3-propylthiourea
CID 2244101
1-(2,5-dichlorophenyl)-3-heptylthiourea
CID 19650844
1-(5-bromo-2-chlorophenyl)-3-ethylurea
CID 60981700
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(2-bromo-4-fluorophenyl)-3-propylthiourea
CID 115583541
1-(5-bromo-2-chlorophenyl)-3-cyclopentylthiourea
CID 116508391
1-(5-bromo-2-pyridinyl)-3-propylthiourea
CID 17254872

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-propylthiourea?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-3-propylthiourea (CID 115606348) is 1-(5-bromo-2-chlorophenyl)-3-propylthiourea.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-3-propylthiourea?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-3-propylthiourea is CCCNC(=S)Nc1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-3-propylthiourea?
The InChIKey is FGNUSUIJOYLBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2S/c1-2-5-13-10(15)14-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(5-bromo-2-chlorophenyl)-3-propylthiourea?
1-(5-bromo-2-chlorophenyl)-3-propylthiourea has a molecular weight of 307.64 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-3-propylthiourea is sourced from PubChem (CID 115606348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).