(4-bromo-2,5-dichlorophenyl)thiourea

C7H5BrCl2N2S — CID 169356189

IUPAC(4-bromo-2,5-dichlorophenyl)thiourea
SMILESNC(=S)Nc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C7H5BrCl2N2S/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyDKWCKJWJMFXMGO-UHFFFAOYSA-N
MW300.01 g/mol
LogP3.41
Rot. Bonds1

About (4-bromo-2,5-dichlorophenyl)thiourea

(4-bromo-2,5-dichlorophenyl)thiourea (PubChem CID 169356189) has the molecular formula C7H5BrCl2N2S and a molecular weight of 300.01 g/mol. Its IUPAC name is (4-bromo-2,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name(4-bromo-2,5-dichlorophenyl)thiourea
PubChem CID169356189
Molecular FormulaC7H5BrCl2N2S
Molecular Weight300.01 g/mol
Exact Mass297.87
IUPAC Name(4-bromo-2,5-dichlorophenyl)thiourea
SMILESNC(=S)Nc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C7H5BrCl2N2S/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyDKWCKJWJMFXMGO-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_1', '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)hydrazine
CID 3474185
(3-bromo-2,4-dichlorophenyl)thiourea
CID 169359605
(2-chloro-4-fluorophenyl)thiourea
CID 28888219
2-bromo-4,5-dichlorobenzenecarbothioamide
CID 134588977
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
(2-bromo-5-methylphenyl)thiourea
CID 82757187
(2,4,5-trichloroanilino)thiourea
CID 130154547
(3-bromo-2-hydroxy-5-methoxyphenyl)thiourea
CID 169359991
(2,4,6-trichlorophenyl)thiourea
CID 2731098
(3-bromo-5-chlorophenyl)thiourea
CID 131211224

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dichlorophenyl)thiourea?
The IUPAC name of (4-bromo-2,5-dichlorophenyl)thiourea (CID 169356189) is (4-bromo-2,5-dichlorophenyl)thiourea.
What is the SMILES notation for (4-bromo-2,5-dichlorophenyl)thiourea?
The canonical SMILES for (4-bromo-2,5-dichlorophenyl)thiourea is NC(=S)Nc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of (4-bromo-2,5-dichlorophenyl)thiourea?
The InChIKey is DKWCKJWJMFXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2N2S/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H3,11,12,13).
What are the key properties of (4-bromo-2,5-dichlorophenyl)thiourea?
(4-bromo-2,5-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 (4-bromo-2,5-dichlorophenyl)thiourea is sourced from PubChem (CID 169356189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).