6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one

C12H8O3S2 — CID 22010465

IUPAC6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one
SMILESO=c1oc2cc(OCc3ccsc3)ccc2s1
InChIInChI=1S/C12H8O3S2/c13-12-15-10-5-9(1-2-11(10)17-12)14-6-8-3-4-16-7-8/h1-5,7H,6H2
InChIKeyWNGLVQZRYIEACN-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.49
Rot. Bonds3

About 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one

6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one (PubChem CID 22010465) has the molecular formula C12H8O3S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one.

Molecular Properties

Compound Name6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one
PubChem CID22010465
Molecular FormulaC12H8O3S2
Molecular Weight264.33 g/mol
Exact Mass263.99
IUPAC Name6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one
SMILESO=c1oc2cc(OCc3ccsc3)ccc2s1
InChIInChI=1S/C12H8O3S2/c13-12-15-10-5-9(1-2-11(10)17-12)14-6-8-3-4-16-7-8/h1-5,7H,6H2
InChIKeyWNGLVQZRYIEACN-UHFFFAOYSA-N
XLogP3.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenylmethoxy-1,3-benzoxathiol-2-one
CID 10682625
6-[(3-nitrophenyl)methoxy]-1,3-benzoxathiol-2-one
CID 166637419
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
CID 163380011
(2-oxo-1,3-benzoxathiol-6-yl) 2,2-dimethylbutanoate
CID 58341730
2-chloroethyl (2-oxo-1,3-benzoxathiol-6-yl) carbonate
CID 4589301
(2-oxo-1,3-benzoxathiol-6-yl) 4-octoxybenzoate
CID 86058456
N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide
CID 27742540
(5Z)-5-[[4-(thiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233519
3-(thiophen-3-ylmethoxy)-5-(trifluoromethyl)benzaldehyde
CID 122475730
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
6-[2-(1-aminocyclopropyl)ethyl]-1,3-benzoxathiol-2-one
CID 105496526

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one?
The IUPAC name of 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one (CID 22010465) is 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one.
What is the SMILES notation for 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one?
The canonical SMILES for 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one is O=c1oc2cc(OCc3ccsc3)ccc2s1.
What is the InChIKey of 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one?
The InChIKey is WNGLVQZRYIEACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3S2/c13-12-15-10-5-9(1-2-11(10)17-12)14-6-8-3-4-16-7-8/h1-5,7H,6H2.
What are the key properties of 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one?
6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one is sourced from PubChem (CID 22010465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).