O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate

C13H10FNO2S — CID 54147390

IUPACO-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate
SMILESOc1ccccc1OC(=S)Nc1ccccc1F
InChIInChI=1S/C13H10FNO2S/c14-9-5-1-2-6-10(9)15-13(18)17-12-8-4-3-7-11(12)16/h1-8,16H,(H,15,18)
InChIKeyOFIUKSNOEVBBBY-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.31
Rot. Bonds2

About O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate

O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate (PubChem CID 54147390) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate.

Molecular Properties

Compound NameO-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate
PubChem CID54147390
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC NameO-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate
SMILESOc1ccccc1OC(=S)Nc1ccccc1F
InChIInChI=1S/C13H10FNO2S/c14-9-5-1-2-6-10(9)15-13(18)17-12-8-4-3-7-11(12)16/h1-8,16H,(H,15,18)
InChIKeyOFIUKSNOEVBBBY-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
(2-hydroxyphenoxy)methanedithioic acid
CID 175191562
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
phenyl N-(2-fluorophenyl)carbamate
CID 3790948
1-(5-fluoro-2-methylphenyl)-3-(2-fluorophenyl)thiourea
CID 19687280
N-(2-fluorophenyl)-4-methylbenzenecarbothioamide
CID 10399619
1-[2-(4-fluorophenoxy)ethyl]-3-(2-fluorophenyl)-1-methylthiourea
CID 9241386
1-(2-tert-butylphenyl)-3-(2-fluorophenyl)thiourea
CID 4662222
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
CID 4841872
N-[(2-fluorophenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 833807
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319

Frequently Asked Questions

What is the IUPAC name of O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate?
The IUPAC name of O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate (CID 54147390) is O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate.
What is the SMILES notation for O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate?
The canonical SMILES for O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate is Oc1ccccc1OC(=S)Nc1ccccc1F.
What is the InChIKey of O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate?
The InChIKey is OFIUKSNOEVBBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c14-9-5-1-2-6-10(9)15-13(18)17-12-8-4-3-7-11(12)16/h1-8,16H,(H,15,18).
What are the key properties of O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate?
O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate has a molecular weight of 263.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-hydroxyphenyl) N-(2-fluorophenyl)carbamothioate is sourced from PubChem (CID 54147390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).