(2-bromo-4-chloro-6-nitrophenyl)thiourea

C7H5BrClN3O2S — CID 169356003

IUPAC(2-bromo-4-chloro-6-nitrophenyl)thiourea
SMILESNC(=S)Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5BrClN3O2S/c8-4-1-3(9)2-5(12(13)14)6(4)11-7(10)15/h1-2H,(H3,10,11,15)
InChIKeyJEUCPFCUZAWVFT-UHFFFAOYSA-N
MW310.56 g/mol
LogP2.67
Rot. Bonds2

About (2-bromo-4-chloro-6-nitrophenyl)thiourea

(2-bromo-4-chloro-6-nitrophenyl)thiourea (PubChem CID 169356003) has the molecular formula C7H5BrClN3O2S and a molecular weight of 310.56 g/mol. Its IUPAC name is (2-bromo-4-chloro-6-nitrophenyl)thiourea.

Molecular Properties

Compound Name(2-bromo-4-chloro-6-nitrophenyl)thiourea
PubChem CID169356003
Molecular FormulaC7H5BrClN3O2S
Molecular Weight310.56 g/mol
Exact Mass308.90
IUPAC Name(2-bromo-4-chloro-6-nitrophenyl)thiourea
SMILESNC(=S)Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5BrClN3O2S/c8-4-1-3(9)2-5(12(13)14)6(4)11-7(10)15/h1-2H,(H3,10,11,15)
InChIKeyJEUCPFCUZAWVFT-UHFFFAOYSA-N
XLogP2.67
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2,6-dibromo-4-nitrophenyl)thiourea
CID 3776125
2-bromo-4-chloro-N-ethyl-6-nitroaniline
CID 134174808
N-(2-bromo-4-chloro-6-nitrophenyl)formamide
CID 168651183
methyl 2-(2-bromo-4-chloro-6-nitroanilino)acetate
CID 134180396
(2,5-dibromo-4-nitrophenyl)thiourea
CID 87096125
(4-fluoro-2-methyl-6-nitrophenyl)thiourea
CID 169356144
(2,4,6-trichlorophenyl)thiourea
CID 2731098
N-[(2-bromo-4-chloro-6-nitrophenyl)methyl]ethanamine
CID 171606394
2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide
CID 139788843
2-bromo-N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 4948421
2-bromo-4-chloro-N,N-dimethyl-6-nitroaniline
CID 50879556
(2,6-dimethyl-4-nitrophenyl)thiourea
CID 169356550

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-6-nitrophenyl)thiourea?
The IUPAC name of (2-bromo-4-chloro-6-nitrophenyl)thiourea (CID 169356003) is (2-bromo-4-chloro-6-nitrophenyl)thiourea.
What is the SMILES notation for (2-bromo-4-chloro-6-nitrophenyl)thiourea?
The canonical SMILES for (2-bromo-4-chloro-6-nitrophenyl)thiourea is NC(=S)Nc1c(Br)cc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (2-bromo-4-chloro-6-nitrophenyl)thiourea?
The InChIKey is JEUCPFCUZAWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3O2S/c8-4-1-3(9)2-5(12(13)14)6(4)11-7(10)15/h1-2H,(H3,10,11,15).
What are the key properties of (2-bromo-4-chloro-6-nitrophenyl)thiourea?
(2-bromo-4-chloro-6-nitrophenyl)thiourea has a molecular weight of 310.56 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chloro-6-nitrophenyl)thiourea is sourced from PubChem (CID 169356003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).