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

C7H9ClO2S — CID 161433821

IUPAC2-(2H-thiopyran-6-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1=CC=CCS1
InChIInChI=1S/C7H8O2S.ClH/c8-7(9)5-6-3-1-2-4-10-6;/h1-3H,4-5H2,(H,8,9);1H
InChIKeyJOBIQXWZAOILQC-UHFFFAOYSA-N
MW192.67 g/mol
LogP2.07
Rot. Bonds2

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

2-(2H-thiopyran-6-yl)acetic acid;hydrochloride (PubChem CID 161433821) has the molecular formula C7H9ClO2S and a molecular weight of 192.67 g/mol. Its IUPAC name is 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2H-thiopyran-6-yl)acetic acid;hydrochloride
PubChem CID161433821
Molecular FormulaC7H9ClO2S
Molecular Weight192.67 g/mol
Exact Mass192.00
IUPAC Name2-(2H-thiopyran-6-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1=CC=CCS1
InChIInChI=1S/C7H8O2S.ClH/c8-7(9)5-6-3-1-2-4-10-6;/h1-3H,4-5H2,(H,8,9);1H
InChIKeyJOBIQXWZAOILQC-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2H-thiopyran-6-yl)acetic acid
CID 161433822
ethane;4-(2H-thiopyran-6-yl)butan-2-one
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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
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
(3R)-3-amino-3-cyclopenta-1,3-dien-1-ylpropanoic acid
CID 59567112
CID 172781038
CID 172781038
CID 172781001
CID 172781001

Frequently Asked Questions

What is the IUPAC name of 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride (CID 161433821) is 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1=CC=CCS1.
What is the InChIKey of 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride?
The InChIKey is JOBIQXWZAOILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.ClH/c8-7(9)5-6-3-1-2-4-10-6;/h1-3H,4-5H2,(H,8,9);1H.
What are the key properties of 2-(2H-thiopyran-6-yl)acetic acid;hydrochloride?
2-(2H-thiopyran-6-yl)acetic acid;hydrochloride has a molecular weight of 192.67 g/mol, XLogP of 2.07, 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;hydrochloride is sourced from PubChem (CID 161433821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).