ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate

C10H11FN2O2S — CID 2826699

IUPACethyl N-[(4-fluorophenyl)carbamothioyl]carbamate
SMILESCCOC(=O)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c1-2-15-10(14)13-9(16)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,13,14,16)
InChIKeyKWBOKXVBZAPTMV-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.27
Rot. Bonds2

About ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate

ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate (PubChem CID 2826699) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-fluorophenyl)carbamothioyl]carbamate
PubChem CID2826699
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Nameethyl N-[(4-fluorophenyl)carbamothioyl]carbamate
SMILESCCOC(=O)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c1-2-15-10(14)13-9(16)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,13,14,16)
InChIKeyKWBOKXVBZAPTMV-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.27
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

Thiophanate-Methyl
CID 3032791
Thiophanate
CID 3032792
Thiophamine
CID 3032830
1-Acetyl-3-phenyl-2-thiourea
CID 853886
Methyl [(2-{[(methoxycarbonyl)carbamothioyl]amino}phenyl)carbamoyl]carbamate
CID 14619080
methyl N-(phenylcarbamothioylamino)carbamate
CID 730701
O-propyl phenylthiocarbamate
CID 2172803
O-Ethyl N-phenylcarbamothioate
CID 1380731
Methyl {[2-(carbamothioylamino)phenyl] carbamothioyl}carbamate
CID 139594622
Methyl 4-({[(2-fluorophenyl)amino]carbonothioyl}amino)-4-oxobutanoate
CID 2235199
N-[(2-fluorophenyl)carbamothioyl]acetamide
CID 2235536
ethyl N-[[3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate
CID 2196048

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate?
The IUPAC name of ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate (CID 2826699) is ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate.
What is the SMILES notation for ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate?
The canonical SMILES for ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate is CCOC(=O)NC(=S)Nc1ccc(F)cc1.
What is the InChIKey of ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate?
The InChIKey is KWBOKXVBZAPTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-2-15-10(14)13-9(16)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,13,14,16).
What are the key properties of ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate?
ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate has a molecular weight of 242.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-fluorophenyl)carbamothioyl]carbamate is sourced from PubChem (CID 2826699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).