methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate

C9H11NO3S2 — CID 54043657

IUPACmethyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC(=S)N(C)C
InChIInChI=1S/C9H11NO3S2/c1-10(2)9(14)13-6-4-5-15-7(6)8(11)12-3/h4-5H,1-3H3
InChIKeyLOBORKZYAFBTDX-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.76
Rot. Bonds2

About methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate

methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate (PubChem CID 54043657) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate
PubChem CID54043657
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Namemethyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OC(=S)N(C)C
InChIInChI=1S/C9H11NO3S2/c1-10(2)9(14)13-6-4-5-15-7(6)8(11)12-3/h4-5H,1-3H3
InChIKeyLOBORKZYAFBTDX-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-carbonochloridothioyloxythiophene-2-carboxylate
CID 21291808
methyl 3-[8-(2-methoxycarbonylthiophen-3-yl)oxyoctoxy]thiophene-2-carboxylate
CID 11015443
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
methyl 3-[tert-butyl(dimethyl)silyl]oxythiophene-2-carboxylate
CID 19432955
methyl 3-(trifluoromethylsulfonyloxy)thiophene-2-carboxylate
CID 11737832
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(trideuteriomethyl)thiophene-2-carboxylate
CID 155662295
2-methoxycarbonylthiophene-3-diazonium
CID 2780248
methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate
CID 134114884
methyl 3-(pyrrol-1-ylmethyl)thiophene-2-carboxylate
CID 14910424

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate (CID 54043657) is methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate is COC(=O)c1sccc1OC(=S)N(C)C.
What is the InChIKey of methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate?
The InChIKey is LOBORKZYAFBTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-10(2)9(14)13-6-4-5-15-7(6)8(11)12-3/h4-5H,1-3H3.
What are the key properties of methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate?
methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylcarbamothioyloxy)thiophene-2-carboxylate is sourced from PubChem (CID 54043657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).