methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate

C10H10FNO3S — CID 107665927

IUPACmethyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(C(N)=S)cc1F
InChIInChI=1S/C10H10FNO3S/c1-14-9(13)5-15-8-3-2-6(10(12)16)4-7(8)11/h2-4H,5H2,1H3,(H2,12,16)
InChIKeyUBNLWBRAZLWQDX-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate

methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate (PubChem CID 107665927) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate
PubChem CID107665927
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Namemethyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(C(N)=S)cc1F
InChIInChI=1S/C10H10FNO3S/c1-14-9(13)5-15-8-3-2-6(10(12)16)4-7(8)11/h2-4H,5H2,1H3,(H2,12,16)
InChIKeyUBNLWBRAZLWQDX-UHFFFAOYSA-N
XLogP1.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
3-fluoro-4-[(2,4,6-trimethylphenyl)methoxy]benzenecarbothioamide
CID 107665785
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenecarbothioamide
CID 61102663
3-fluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 43658096
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
4-[2-[di(propan-2-yl)amino]ethoxy]-3-fluorobenzenecarbothioamide
CID 115505528
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate?
The IUPAC name of methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate (CID 107665927) is methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate.
What is the SMILES notation for methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate?
The canonical SMILES for methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate is COC(=O)COc1ccc(C(N)=S)cc1F.
What is the InChIKey of methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate?
The InChIKey is UBNLWBRAZLWQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c1-14-9(13)5-15-8-3-2-6(10(12)16)4-7(8)11/h2-4H,5H2,1H3,(H2,12,16).
What are the key properties of methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate?
methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate has a molecular weight of 243.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate is sourced from PubChem (CID 107665927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).