(2-bromo-5-methylphenyl)thiourea

C8H9BrN2S — CID 82757187

IUPAC(2-bromo-5-methylphenyl)thiourea
SMILESCc1ccc(Br)c(NC(N)=S)c1
InChIInChI=1S/C8H9BrN2S/c1-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyDHAAHTUDXRKKIV-UHFFFAOYSA-N
MW245.14 g/mol
LogP2.41
Rot. Bonds1

About (2-bromo-5-methylphenyl)thiourea

(2-bromo-5-methylphenyl)thiourea (PubChem CID 82757187) has the molecular formula C8H9BrN2S and a molecular weight of 245.14 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)thiourea.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)thiourea
PubChem CID82757187
Molecular FormulaC8H9BrN2S
Molecular Weight245.14 g/mol
Exact Mass243.97
IUPAC Name(2-bromo-5-methylphenyl)thiourea
SMILESCc1ccc(Br)c(NC(N)=S)c1
InChIInChI=1S/C8H9BrN2S/c1-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)
InChIKeyDHAAHTUDXRKKIV-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 52.41
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-bromo-5-methylphenyl)urea
CID 82707313
(5-acetyl-2-bromophenyl)thiourea
CID 169359829
[5-methyl-2-(trifluoromethyl)phenyl]thiourea
CID 86633158
(2-iodo-4-methylphenyl)thiourea
CID 44622934
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
1-(2-bromo-5-methylphenyl)-2-cyclopropylguanidine
CID 82758985
N-(2-bromo-5-methylphenyl)-2-carbamothioylpentanamide
CID 82757577
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
N-(2-bromo-5-methylphenyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 82756973
N-(2-bromo-5-methylphenyl)-4-carbamothioyloxane-4-carboxamide
CID 82756891
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
[(2-bromo-4-methylphenyl)methylideneamino]thiourea
CID 168534183

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)thiourea?
The IUPAC name of (2-bromo-5-methylphenyl)thiourea (CID 82757187) is (2-bromo-5-methylphenyl)thiourea.
What is the SMILES notation for (2-bromo-5-methylphenyl)thiourea?
The canonical SMILES for (2-bromo-5-methylphenyl)thiourea is Cc1ccc(Br)c(NC(N)=S)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)thiourea?
The InChIKey is DHAAHTUDXRKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c1-5-2-3-6(9)7(4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12).
What are the key properties of (2-bromo-5-methylphenyl)thiourea?
(2-bromo-5-methylphenyl)thiourea has a molecular weight of 245.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)thiourea is sourced from PubChem (CID 82757187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).