ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate

C10H10F2N2O2S — CID 2824642

IUPACethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate
SMILESCCOC(=O)NC(=S)Nc1ccc(F)cc1F
InChIInChI=1S/C10H10F2N2O2S/c1-2-16-10(15)14-9(17)13-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H2,13,14,15,17)
InChIKeyVLOKSUFOBJPLMV-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.41
Rot. Bonds2

About ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate

ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate (PubChem CID 2824642) has the molecular formula C10H10F2N2O2S and a molecular weight of 260.26 g/mol. Its IUPAC name is ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate
PubChem CID2824642
Molecular FormulaC10H10F2N2O2S
Molecular Weight260.26 g/mol
Exact Mass260.04
IUPAC Nameethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate
SMILESCCOC(=O)NC(=S)Nc1ccc(F)cc1F
InChIInChI=1S/C10H10F2N2O2S/c1-2-16-10(15)14-9(17)13-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H2,13,14,15,17)
InChIKeyVLOKSUFOBJPLMV-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.41
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 {[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
N-{[(2-fluorophenyl)amino]carbonothioyl}-2-methylpropanamide
CID 801621
N-{[(2-fluorophenyl)amino]carbonothioyl}-2,2-dimethylpropanamide
CID 802282
N-{[(4-fluorophenyl)amino]carbonothioyl}-2,2-dimethylpropanamide
CID 802662

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate?
The IUPAC name of ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate (CID 2824642) is ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate.
What is the SMILES notation for ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate?
The canonical SMILES for ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate is CCOC(=O)NC(=S)Nc1ccc(F)cc1F.
What is the InChIKey of ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate?
The InChIKey is VLOKSUFOBJPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2S/c1-2-16-10(15)14-9(17)13-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H2,13,14,15,17).
What are the key properties of ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate?
ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate has a molecular weight of 260.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,4-difluorophenyl)carbamothioyl]carbamate is sourced from PubChem (CID 2824642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).