(2-bromo-4-fluoro-6-methylphenyl)thiourea

C8H8BrFN2S — CID 51000197

IUPAC(2-bromo-4-fluoro-6-methylphenyl)thiourea
SMILESCc1cc(F)cc(Br)c1NC(N)=S
InChIInChI=1S/C8H8BrFN2S/c1-4-2-5(10)3-6(9)7(4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyQQWBDOGGOFSRTK-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.55
Rot. Bonds1

About (2-bromo-4-fluoro-6-methylphenyl)thiourea

(2-bromo-4-fluoro-6-methylphenyl)thiourea (PubChem CID 51000197) has the molecular formula C8H8BrFN2S and a molecular weight of 263.13 g/mol. Its IUPAC name is (2-bromo-4-fluoro-6-methylphenyl)thiourea.

Molecular Properties

Compound Name(2-bromo-4-fluoro-6-methylphenyl)thiourea
PubChem CID51000197
Molecular FormulaC8H8BrFN2S
Molecular Weight263.13 g/mol
Exact Mass261.96
IUPAC Name(2-bromo-4-fluoro-6-methylphenyl)thiourea
SMILESCc1cc(F)cc(Br)c1NC(N)=S
InChIInChI=1S/C8H8BrFN2S/c1-4-2-5(10)3-6(9)7(4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyQQWBDOGGOFSRTK-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.55
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-(2-methylphenyl)thiourea
CID 976434
2-Bromo-4-methylphenylthiourea
CID 4011538
4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
CID 2735561
(4-Bromo-2-(trifluoromethyl)phenyl)thiourea
CID 2783234
N-(4-Bromo-2-methylphenyl)thiourea
CID 3457258
(2,6-Dibromo-4-methylphenyl)thiourea
CID 2732132
4-(2,6-Dibromo-4-methylphenyl)-3-thiosemicarbazide
CID 2824626
[2-Bromo-3-(trifluoromethyl)phenyl]thiourea
CID 139263934
1-(4-Bromo-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2826650
1-(2-Bromo-5-trifluoromethylphenyl)-2-thiourea
CID 2736432
N-(2-Bromo-6-fluorophenyl)thiourea
CID 20226422
1-(2-Bromo-4-fluoro-6-methylphenyl)-3-(diaminomethylidene)urea
CID 20457627

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluoro-6-methylphenyl)thiourea?
The IUPAC name of (2-bromo-4-fluoro-6-methylphenyl)thiourea (CID 51000197) is (2-bromo-4-fluoro-6-methylphenyl)thiourea.
What is the SMILES notation for (2-bromo-4-fluoro-6-methylphenyl)thiourea?
The canonical SMILES for (2-bromo-4-fluoro-6-methylphenyl)thiourea is Cc1cc(F)cc(Br)c1NC(N)=S.
What is the InChIKey of (2-bromo-4-fluoro-6-methylphenyl)thiourea?
The InChIKey is QQWBDOGGOFSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2S/c1-4-2-5(10)3-6(9)7(4)12-8(11)13/h2-3H,1H3,(H3,11,12,13).
What are the key properties of (2-bromo-4-fluoro-6-methylphenyl)thiourea?
(2-bromo-4-fluoro-6-methylphenyl)thiourea has a molecular weight of 263.13 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluoro-6-methylphenyl)thiourea is sourced from PubChem (CID 51000197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).