(4-bromo-2-ethoxyphenyl)thiourea

C9H11BrN2OS — CID 169357041

IUPAC(4-bromo-2-ethoxyphenyl)thiourea
SMILESCCOc1cc(Br)ccc1NC(N)=S
InChIInChI=1S/C9H11BrN2OS/c1-2-13-8-5-6(10)3-4-7(8)12-9(11)14/h3-5H,2H2,1H3,(H3,11,12,14)
InChIKeyZQNXLOHDWOGWGM-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.50
Rot. Bonds3

About (4-bromo-2-ethoxyphenyl)thiourea

(4-bromo-2-ethoxyphenyl)thiourea (PubChem CID 169357041) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is (4-bromo-2-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name(4-bromo-2-ethoxyphenyl)thiourea
PubChem CID169357041
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name(4-bromo-2-ethoxyphenyl)thiourea
SMILESCCOc1cc(Br)ccc1NC(N)=S
InChIInChI=1S/C9H11BrN2OS/c1-2-13-8-5-6(10)3-4-7(8)12-9(11)14/h3-5H,2H2,1H3,(H3,11,12,14)
InChIKeyZQNXLOHDWOGWGM-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-bromo-2-ethoxyanilino)propanoate
CID 175074340
(2-ethoxy-5-fluorophenyl)thiourea
CID 169358343
(4-bromo-2-chlorophenyl)thiourea
CID 43168183
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
(2-ethoxy-5-phenylphenyl)thiourea
CID 169357905
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119812519
5-bromo-2-(4-ethoxyanilino)benzenecarbothioamide
CID 114891148
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303
5-bromo-N-(2-ethoxy-4-fluorophenyl)-2-methylbenzamide
CID 65311452
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 17104901
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
CID 119300663

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-ethoxyphenyl)thiourea?
The IUPAC name of (4-bromo-2-ethoxyphenyl)thiourea (CID 169357041) is (4-bromo-2-ethoxyphenyl)thiourea.
What is the SMILES notation for (4-bromo-2-ethoxyphenyl)thiourea?
The canonical SMILES for (4-bromo-2-ethoxyphenyl)thiourea is CCOc1cc(Br)ccc1NC(N)=S.
What is the InChIKey of (4-bromo-2-ethoxyphenyl)thiourea?
The InChIKey is ZQNXLOHDWOGWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-2-13-8-5-6(10)3-4-7(8)12-9(11)14/h3-5H,2H2,1H3,(H3,11,12,14).
What are the key properties of (4-bromo-2-ethoxyphenyl)thiourea?
(4-bromo-2-ethoxyphenyl)thiourea has a molecular weight of 275.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-ethoxyphenyl)thiourea is sourced from PubChem (CID 169357041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).