(3-bromo-2,4-dichlorophenyl)thiourea

C7H5BrCl2N2S — CID 169359605

IUPAC(3-bromo-2,4-dichlorophenyl)thiourea
SMILESNC(=S)Nc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C7H5BrCl2N2S/c8-5-3(9)1-2-4(6(5)10)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyDMFNLCFZVBLWAE-UHFFFAOYSA-N
MW300.01 g/mol
LogP3.41
Rot. Bonds1

About (3-bromo-2,4-dichlorophenyl)thiourea

(3-bromo-2,4-dichlorophenyl)thiourea (PubChem CID 169359605) has the molecular formula C7H5BrCl2N2S and a molecular weight of 300.01 g/mol. Its IUPAC name is (3-bromo-2,4-dichlorophenyl)thiourea.

Molecular Properties

Compound Name(3-bromo-2,4-dichlorophenyl)thiourea
PubChem CID169359605
Molecular FormulaC7H5BrCl2N2S
Molecular Weight300.01 g/mol
Exact Mass297.87
IUPAC Name(3-bromo-2,4-dichlorophenyl)thiourea
SMILESNC(=S)Nc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C7H5BrCl2N2S/c8-5-3(9)1-2-4(6(5)10)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyDMFNLCFZVBLWAE-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.01
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-chlorophenyl)thiourea
CID 43168183
(4-bromo-2,5-dichlorophenyl)thiourea
CID 169356189
dimethyl (E)-2-(3-bromo-2,4-dichloroanilino)but-2-enedioate
CID 168567246
(2-bromo-3-iodophenyl)thiourea
CID 22438170
(2-chloro-4-fluorophenyl)thiourea
CID 28888219
N-(3-bromo-2,4-dichlorophenyl)octanamide
CID 177295929
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
(2,6-dichlorophenyl)thiourea
CID 722776
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dichlorophenyl)thiourea?
The IUPAC name of (3-bromo-2,4-dichlorophenyl)thiourea (CID 169359605) is (3-bromo-2,4-dichlorophenyl)thiourea.
What is the SMILES notation for (3-bromo-2,4-dichlorophenyl)thiourea?
The canonical SMILES for (3-bromo-2,4-dichlorophenyl)thiourea is NC(=S)Nc1ccc(Cl)c(Br)c1Cl.
What is the InChIKey of (3-bromo-2,4-dichlorophenyl)thiourea?
The InChIKey is DMFNLCFZVBLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2N2S/c8-5-3(9)1-2-4(6(5)10)12-7(11)13/h1-2H,(H3,11,12,13).
What are the key properties of (3-bromo-2,4-dichlorophenyl)thiourea?
(3-bromo-2,4-dichlorophenyl)thiourea has a molecular weight of 300.01 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dichlorophenyl)thiourea is sourced from PubChem (CID 169359605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).