acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran

C10H14O3S — CID 21423152

IUPACacetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
SMILESCC(=O)O.CC1OCCc2sccc21
InChIInChI=1S/C8H10OS.C2H4O2/c1-6-7-3-5-10-8(7)2-4-9-6;1-2(3)4/h3,5-6H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyRVXXDUPTVQLPKZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.47
Rot. Bonds

About acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran

acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran (PubChem CID 21423152) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran.

Molecular Properties

Compound Nameacetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
PubChem CID21423152
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Nameacetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
SMILESCC(=O)O.CC1OCCc2sccc21
InChIInChI=1S/C8H10OS.C2H4O2/c1-6-7-3-5-10-8(7)2-4-9-6;1-2(3)4/h3,5-6H,2,4H2,1H3;1H3,(H,3,4)
InChIKeyRVXXDUPTVQLPKZ-UHFFFAOYSA-N
XLogP2.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid
CID 124710618
1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine
CID 138602793
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
CID 136572491
3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoylamino]propanoic acid
CID 122015221
4-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylamino]methyl]benzoic acid
CID 122034712
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]pyrrolidine
CID 53238282
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425
4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
1-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527607
5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632061
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015232

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran?
The IUPAC name of acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran (CID 21423152) is acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran.
What is the SMILES notation for acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran?
The canonical SMILES for acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran is CC(=O)O.CC1OCCc2sccc21.
What is the InChIKey of acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran?
The InChIKey is RVXXDUPTVQLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS.C2H4O2/c1-6-7-3-5-10-8(7)2-4-9-6;1-2(3)4/h3,5-6H,2,4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran?
acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran has a molecular weight of 214.29 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran is sourced from PubChem (CID 21423152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).