(2-ethoxy-5-fluorophenyl)thiourea

C9H11FN2OS — CID 169358343

IUPAC(2-ethoxy-5-fluorophenyl)thiourea
SMILESCCOc1ccc(F)cc1NC(N)=S
InChIInChI=1S/C9H11FN2OS/c1-2-13-8-4-3-6(10)5-7(8)12-9(11)14/h3-5H,2H2,1H3,(H3,11,12,14)
InChIKeyURDKZINHWIOEET-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.88
Rot. Bonds3

About (2-ethoxy-5-fluorophenyl)thiourea

(2-ethoxy-5-fluorophenyl)thiourea (PubChem CID 169358343) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is (2-ethoxy-5-fluorophenyl)thiourea.

Molecular Properties

Compound Name(2-ethoxy-5-fluorophenyl)thiourea
PubChem CID169358343
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name(2-ethoxy-5-fluorophenyl)thiourea
SMILESCCOc1ccc(F)cc1NC(N)=S
InChIInChI=1S/C9H11FN2OS/c1-2-13-8-4-3-6(10)5-7(8)12-9(11)14/h3-5H,2H2,1H3,(H3,11,12,14)
InChIKeyURDKZINHWIOEET-UHFFFAOYSA-N
XLogP1.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.88
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

(2-ethoxy-5-phenylphenyl)thiourea
CID 169357905
2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
[5-fluoro-2-(trifluoromethoxy)phenyl]thiourea
CID 169356232
(4-bromo-2-ethoxyphenyl)thiourea
CID 169357041
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(2-ethoxy-3-fluorophenyl)thiourea
CID 169358055
2-[(2-ethoxy-5-fluoroanilino)methylidene]propanedinitrile
CID 168543731
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
CID 53488862
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-fluorophenyl)thiourea?
The IUPAC name of (2-ethoxy-5-fluorophenyl)thiourea (CID 169358343) is (2-ethoxy-5-fluorophenyl)thiourea.
What is the SMILES notation for (2-ethoxy-5-fluorophenyl)thiourea?
The canonical SMILES for (2-ethoxy-5-fluorophenyl)thiourea is CCOc1ccc(F)cc1NC(N)=S.
What is the InChIKey of (2-ethoxy-5-fluorophenyl)thiourea?
The InChIKey is URDKZINHWIOEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-2-13-8-4-3-6(10)5-7(8)12-9(11)14/h3-5H,2H2,1H3,(H3,11,12,14).
What are the key properties of (2-ethoxy-5-fluorophenyl)thiourea?
(2-ethoxy-5-fluorophenyl)thiourea has a molecular weight of 214.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-fluorophenyl)thiourea is sourced from PubChem (CID 169358343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).