(2-bromo-3-iodophenyl)thiourea

C7H6BrIN2S — CID 22438170

IUPAC(2-bromo-3-iodophenyl)thiourea
SMILESNC(=S)Nc1cccc(I)c1Br
InChIInChI=1S/C7H6BrIN2S/c8-6-4(9)2-1-3-5(6)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyDPMBGPUBHOVZLT-UHFFFAOYSA-N
MW357.01 g/mol
LogP2.71
Rot. Bonds1

About (2-bromo-3-iodophenyl)thiourea

(2-bromo-3-iodophenyl)thiourea (PubChem CID 22438170) has the molecular formula C7H6BrIN2S and a molecular weight of 357.01 g/mol. Its IUPAC name is (2-bromo-3-iodophenyl)thiourea.

Molecular Properties

Compound Name(2-bromo-3-iodophenyl)thiourea
PubChem CID22438170
Molecular FormulaC7H6BrIN2S
Molecular Weight357.01 g/mol
Exact Mass355.85
IUPAC Name(2-bromo-3-iodophenyl)thiourea
SMILESNC(=S)Nc1cccc(I)c1Br
InChIInChI=1S/C7H6BrIN2S/c8-6-4(9)2-1-3-5(6)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyDPMBGPUBHOVZLT-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.01
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-3-(trifluoromethyl)phenyl]thiourea
CID 139263934
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
(3-fluoro-2-iodophenyl)thiourea
CID 130498613
(3-bromo-2,4-dichlorophenyl)thiourea
CID 169359605
[2-(methylamino)phenyl]thiourea
CID 91755766
(2-iodo-4-methylphenyl)thiourea
CID 44622934
2-bromo-3-iodoaniline
CID 91873763
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
[2-(difluoromethyl)-3-fluorophenyl]thiourea
CID 169359532
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-iodophenyl)thiourea?
The IUPAC name of (2-bromo-3-iodophenyl)thiourea (CID 22438170) is (2-bromo-3-iodophenyl)thiourea.
What is the SMILES notation for (2-bromo-3-iodophenyl)thiourea?
The canonical SMILES for (2-bromo-3-iodophenyl)thiourea is NC(=S)Nc1cccc(I)c1Br.
What is the InChIKey of (2-bromo-3-iodophenyl)thiourea?
The InChIKey is DPMBGPUBHOVZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIN2S/c8-6-4(9)2-1-3-5(6)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (2-bromo-3-iodophenyl)thiourea?
(2-bromo-3-iodophenyl)thiourea has a molecular weight of 357.01 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-iodophenyl)thiourea is sourced from PubChem (CID 22438170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).