methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid

C15H22O5S2 — CID 157188448

IUPACmethane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid
SMILESC.CO.COC(=O)Cc1ccsc1.O=C(O)Cc1ccsc1
InChIInChI=1S/C7H8O2S.C6H6O2S.CH4O.CH4/c1-9-7(8)4-6-2-3-10-5-6;7-6(8)3-5-1-2-9-4-5;1-2;/h2-3,5H,4H2,1H3;1-2,4H,3H2,(H,7,8);2H,1H3;1H4
InChIKeyAPKGJOZKMOCFOD-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.08
Rot. Bonds4

About methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid

methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid (PubChem CID 157188448) has the molecular formula C15H22O5S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Namemethane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid
PubChem CID157188448
Molecular FormulaC15H22O5S2
Molecular Weight346.47 g/mol
Exact Mass346.09
IUPAC Namemethane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid
SMILESC.CO.COC(=O)Cc1ccsc1.O=C(O)Cc1ccsc1
InChIInChI=1S/C7H8O2S.C6H6O2S.CH4O.CH4/c1-9-7(8)4-6-2-3-10-5-6;7-6(8)3-5-1-2-9-4-5;1-2;/h2-3,5H,4H2,1H3;1-2,4H,3H2,(H,7,8);2H,1H3;1H4
InChIKeyAPKGJOZKMOCFOD-UHFFFAOYSA-N
XLogP3.08
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
methyl 2-(3-thiophen-3-ylphenyl)acetate
CID 141177375
(2,3,4,5,6-pentafluorophenyl) 2-thiophen-3-ylacetate
CID 10470503
[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
CID 101245181
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
CID 172801156
CID 172801156
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9323185
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693
methyl 2-oxo-2-(thiophen-3-ylmethylamino)acetate
CID 112617233

Frequently Asked Questions

What is the IUPAC name of methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid?
The IUPAC name of methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid (CID 157188448) is methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid.
What is the SMILES notation for methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid?
The canonical SMILES for methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid is C.CO.COC(=O)Cc1ccsc1.O=C(O)Cc1ccsc1.
What is the InChIKey of methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid?
The InChIKey is APKGJOZKMOCFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C6H6O2S.CH4O.CH4/c1-9-7(8)4-6-2-3-10-5-6;7-6(8)3-5-1-2-9-4-5;1-2;/h2-3,5H,4H2,1H3;1-2,4H,3H2,(H,7,8);2H,1H3;1H4.
What are the key properties of methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid?
methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid has a molecular weight of 346.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;methyl 2-thiophen-3-ylacetate;2-thiophen-3-ylacetic acid is sourced from PubChem (CID 157188448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).