(2,6-dibromo-4-methylphenyl)thiourea

C8H8Br2N2S — CID 2732132

IUPAC(2,6-dibromo-4-methylphenyl)thiourea
SMILESCc1cc(Br)c(NC(N)=S)c(Br)c1
InChIInChI=1S/C8H8Br2N2S/c1-4-2-5(9)7(6(10)3-4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyBZQCSWUDBPFRBN-UHFFFAOYSA-N
MW324.04 g/mol
LogP3.18
Rot. Bonds1

About (2,6-dibromo-4-methylphenyl)thiourea

(2,6-dibromo-4-methylphenyl)thiourea (PubChem CID 2732132) has the molecular formula C8H8Br2N2S and a molecular weight of 324.04 g/mol. Its IUPAC name is (2,6-dibromo-4-methylphenyl)thiourea.

Molecular Properties

Compound Name(2,6-dibromo-4-methylphenyl)thiourea
PubChem CID2732132
Molecular FormulaC8H8Br2N2S
Molecular Weight324.04 g/mol
Exact Mass321.88
IUPAC Name(2,6-dibromo-4-methylphenyl)thiourea
SMILESCc1cc(Br)c(NC(N)=S)c(Br)c1
InChIInChI=1S/C8H8Br2N2S/c1-4-2-5(9)7(6(10)3-4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyBZQCSWUDBPFRBN-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.04
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)-3-(4-methylphenyl)thiourea
CID 977048
N-(2,4,6-Tribromophenyl)thiourea
CID 3577592
2-Bromo-4-methylphenylthiourea
CID 4011538
N-[(2,6-dibromo-4-methylphenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 2824625
1-Anilino-3-(2,6-dibromo-4-methylphenyl)thiourea
CID 2824628
N-(4-Bromo-2-methylphenyl)thiourea
CID 3457258
1-[3-[(3,5-Dibromophenyl)methylamino]propyl]-3-(4-methylphenyl)thiourea
CID 44395325
1-(2-Cyanoethylamino)-3-(2,6-dibromo-4-methylphenyl)thiourea
CID 2824627
4-(2,6-Dibromo-4-methylphenyl)-3-thiosemicarbazide
CID 2824626
N-(2,6-dibromophenyl)benzenecarbothioamide
CID 134857773
(2-Bromo-4-methylphenyl)urea
CID 20112328
1-(2-Bromo-4-fluoro-6-methylphenyl)-3-(diaminomethylidene)thiourea
CID 20479264

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-methylphenyl)thiourea?
The IUPAC name of (2,6-dibromo-4-methylphenyl)thiourea (CID 2732132) is (2,6-dibromo-4-methylphenyl)thiourea.
What is the SMILES notation for (2,6-dibromo-4-methylphenyl)thiourea?
The canonical SMILES for (2,6-dibromo-4-methylphenyl)thiourea is Cc1cc(Br)c(NC(N)=S)c(Br)c1.
What is the InChIKey of (2,6-dibromo-4-methylphenyl)thiourea?
The InChIKey is BZQCSWUDBPFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2S/c1-4-2-5(9)7(6(10)3-4)12-8(11)13/h2-3H,1H3,(H3,11,12,13).
What are the key properties of (2,6-dibromo-4-methylphenyl)thiourea?
(2,6-dibromo-4-methylphenyl)thiourea has a molecular weight of 324.04 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-methylphenyl)thiourea is sourced from PubChem (CID 2732132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).