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

C9H10O3S — CID 56986109

IUPAC3,4-dihydro-2H-chromene-6-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O3S/c10-13(11)8-3-4-9-7(6-8)2-1-5-12-9/h3-4,6H,1-2,5H2,(H,10,11)
InChIKeyLPLCSWUKCVWFRG-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.59
Rot. Bonds1

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

3,4-dihydro-2H-chromene-6-sulfinic acid (PubChem CID 56986109) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene-6-sulfinic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene-6-sulfinic acid
PubChem CID56986109
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name3,4-dihydro-2H-chromene-6-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H10O3S/c10-13(11)8-3-4-9-7(6-8)2-1-5-12-9/h3-4,6H,1-2,5H2,(H,10,11)
InChIKeyLPLCSWUKCVWFRG-UHFFFAOYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran-5-sulfinic acid
CID 22069128
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfinic acid
CID 20583457
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate
CID 54141331
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene-6-sulfinic acid?
The IUPAC name of 3,4-dihydro-2H-chromene-6-sulfinic acid (CID 56986109) is 3,4-dihydro-2H-chromene-6-sulfinic acid.
What is the SMILES notation for 3,4-dihydro-2H-chromene-6-sulfinic acid?
The canonical SMILES for 3,4-dihydro-2H-chromene-6-sulfinic acid is O=S(O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene-6-sulfinic acid?
The InChIKey is LPLCSWUKCVWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c10-13(11)8-3-4-9-7(6-8)2-1-5-12-9/h3-4,6H,1-2,5H2,(H,10,11).
What are the key properties of 3,4-dihydro-2H-chromene-6-sulfinic acid?
3,4-dihydro-2H-chromene-6-sulfinic acid has a molecular weight of 198.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene-6-sulfinic acid is sourced from PubChem (CID 56986109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).