2-(2H-thiopyran-6-yl)acetic acid

C7H8O2S — CID 161433822

IUPAC2-(2H-thiopyran-6-yl)acetic acid
SMILESO=C(O)CC1=CC=CCS1
InChIInChI=1S/C7H8O2S/c8-7(9)5-6-3-1-2-4-10-6/h1-3H,4-5H2,(H,8,9)
InChIKeyVYJJPBHMXFSEJX-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.65
Rot. Bonds2

About 2-(2H-thiopyran-6-yl)acetic acid

2-(2H-thiopyran-6-yl)acetic acid (PubChem CID 161433822) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(2H-thiopyran-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2H-thiopyran-6-yl)acetic acid
PubChem CID161433822
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-(2H-thiopyran-6-yl)acetic acid
SMILESO=C(O)CC1=CC=CCS1
InChIInChI=1S/C7H8O2S/c8-7(9)5-6-3-1-2-4-10-6/h1-3H,4-5H2,(H,8,9)
InChIKeyVYJJPBHMXFSEJX-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2H-thiopyran-6-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-thiopyran-6-yl)acetic acid;hydrochloride
CID 161433821
ethane;4-(2H-thiopyran-6-yl)butan-2-one
CID 143189257
2-(2,3-dihydrothiophen-5-yl)acetic acid
CID 20623439
2-hydroxy-1,2-bis(2H-thiopyran-6-yl)ethanone
CID 70599984
3-(acetyloxymethyl)-8-oxo-7-[[2-(2H-thiopyran-6-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 143083331
2-(2H-pyran-3-yl)acetic acid
CID 22114124
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
2-(2-cyclohex-3-en-1-ylphenyl)acetic acid
CID 171363878
(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid
CID 59567112
CID 172781038
CID 172781038
CID 172781001
CID 172781001
2-(cyclopent-3-en-1-ylmethyl)benzoic acid
CID 67599835

Frequently Asked Questions

What is the IUPAC name of 2-(2H-thiopyran-6-yl)acetic acid?
The IUPAC name of 2-(2H-thiopyran-6-yl)acetic acid (CID 161433822) is 2-(2H-thiopyran-6-yl)acetic acid.
What is the SMILES notation for 2-(2H-thiopyran-6-yl)acetic acid?
The canonical SMILES for 2-(2H-thiopyran-6-yl)acetic acid is O=C(O)CC1=CC=CCS1.
What is the InChIKey of 2-(2H-thiopyran-6-yl)acetic acid?
The InChIKey is VYJJPBHMXFSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c8-7(9)5-6-3-1-2-4-10-6/h1-3H,4-5H2,(H,8,9).
What are the key properties of 2-(2H-thiopyran-6-yl)acetic acid?
2-(2H-thiopyran-6-yl)acetic acid has a molecular weight of 156.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-thiopyran-6-yl)acetic acid is sourced from PubChem (CID 161433822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).