3,4-dihydro-2H-chromene-6-sulfonic acid

C9H10O4S — CID 22471808

IUPAC3,4-dihydro-2H-chromene-6-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O4S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,10,11,12)
InChIKeyZCDMGFHZKGALMR-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.26
Rot. Bonds1

About 3,4-dihydro-2H-chromene-6-sulfonic acid

3,4-dihydro-2H-chromene-6-sulfonic acid (PubChem CID 22471808) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-6-sulfonic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-6-sulfonic acid
PubChem CID22471808
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name3,4-dihydro-2H-chromene-6-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O4S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,10,11,12)
InChIKeyZCDMGFHZKGALMR-UHFFFAOYSA-N
XLogP1.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735
3,4-dihydro-2H-chromene;4-methylbenzenesulfonic acid
CID 86612270
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-ethylsulfonylpiperazine
CID 110819027
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
3-(3,4-dihydro-2H-chromen-6-ylsulfonyl)propan-1-amine
CID 116853275
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110705617
1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-1,4-diazepane
CID 98781188
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
2-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-N-methylethanamine
CID 116853389
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-6-sulfonic acid?
The IUPAC name of 3,4-dihydro-2H-chromene-6-sulfonic acid (CID 22471808) is 3,4-dihydro-2H-chromene-6-sulfonic acid.
What is the SMILES notation for 3,4-dihydro-2H-chromene-6-sulfonic acid?
The canonical SMILES for 3,4-dihydro-2H-chromene-6-sulfonic acid is O=S(=O)(O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene-6-sulfonic acid?
The InChIKey is ZCDMGFHZKGALMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c10-14(11,12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,10,11,12).
What are the key properties of 3,4-dihydro-2H-chromene-6-sulfonic acid?
3,4-dihydro-2H-chromene-6-sulfonic acid has a molecular weight of 214.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-6-sulfonic acid is sourced from PubChem (CID 22471808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).