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

C9H10Br2N2S — CID 169356329

IUPAC(2,4-dibromo-6-ethylphenyl)thiourea
SMILESCCc1cc(Br)cc(Br)c1NC(N)=S
InChIInChI=1S/C9H10Br2N2S/c1-2-5-3-6(10)4-7(11)8(5)13-9(12)14/h3-4H,2H2,1H3,(H3,12,13,14)
InChIKeyRLYHRUPGKCBVCT-UHFFFAOYSA-N
MW338.07 g/mol
LogP3.43
Rot. Bonds2

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

(2,4-dibromo-6-ethylphenyl)thiourea (PubChem CID 169356329) has the molecular formula C9H10Br2N2S and a molecular weight of 338.07 g/mol. Its IUPAC name is (2,4-dibromo-6-ethylphenyl)thiourea.

Molecular Properties

Compound Name(2,4-dibromo-6-ethylphenyl)thiourea
PubChem CID169356329
Molecular FormulaC9H10Br2N2S
Molecular Weight338.07 g/mol
Exact Mass335.89
IUPAC Name(2,4-dibromo-6-ethylphenyl)thiourea
SMILESCCc1cc(Br)cc(Br)c1NC(N)=S
InChIInChI=1S/C9H10Br2N2S/c1-2-5-3-6(10)4-7(11)8(5)13-9(12)14/h3-4H,2H2,1H3,(H3,12,13,14)
InChIKeyRLYHRUPGKCBVCT-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 53.43
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

(2,4-dibromo-6-methoxyphenyl)thiourea
CID 138682629
(2,6-dibromo-4-sulfamoylphenyl)thiourea
CID 86202105
(2,4,6-tribromophenyl)urea
CID 28991940
4-bromo-2,6-diethylbenzamide
CID 68757322
3-bromo-4-(carbamothioylamino)-5-methylbenzoic acid
CID 169357062
(2,6-dibromo-4-nitrophenyl)thiourea
CID 3776125
(4-bromo-2,6-diethylphenyl)carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 158343850
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
N-[2,4-dibromo-6-(2-methoxyethyl)phenyl]-4-methylpentanamide
CID 86806993
N-(2-amino-4,6-dibromophenyl)-2-methoxyacetamide
CID 61277769
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromo-6-ethylphenyl)thiourea?
The IUPAC name of (2,4-dibromo-6-ethylphenyl)thiourea (CID 169356329) is (2,4-dibromo-6-ethylphenyl)thiourea.
What is the SMILES notation for (2,4-dibromo-6-ethylphenyl)thiourea?
The canonical SMILES for (2,4-dibromo-6-ethylphenyl)thiourea is CCc1cc(Br)cc(Br)c1NC(N)=S.
What is the InChIKey of (2,4-dibromo-6-ethylphenyl)thiourea?
The InChIKey is RLYHRUPGKCBVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2S/c1-2-5-3-6(10)4-7(11)8(5)13-9(12)14/h3-4H,2H2,1H3,(H3,12,13,14).
What are the key properties of (2,4-dibromo-6-ethylphenyl)thiourea?
(2,4-dibromo-6-ethylphenyl)thiourea has a molecular weight of 338.07 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromo-6-ethylphenyl)thiourea is sourced from PubChem (CID 169356329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).