5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran

C8H7ClO2S — CID 134260535

IUPAC5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran
SMILESOSc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H7ClO2S/c9-6-3-5-1-2-11-8(5)7(4-6)12-10/h3-4,10H,1-2H2
InChIKeyFWCBNBWONNVGLT-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.84
Rot. Bonds1

About 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran

5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran (PubChem CID 134260535) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran
PubChem CID134260535
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Name5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran
SMILESOSc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C8H7ClO2S/c9-6-3-5-1-2-11-8(5)7(4-6)12-10/h3-4,10H,1-2H2
InChIKeyFWCBNBWONNVGLT-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 75480629
6-chloro-7-fluoro-3,4-dihydro-2H-chromene-8-thiol
CID 177336481
5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
CID 165461315
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 70516721
5-chloro-2-methyl-N-(oxomethylidene)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 86113122
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonic acid
CID 86113142
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonyl chloride
CID 86113424
5-Chloro-2,3-dihydro-1-benzofuran-7-thiol
CID 104546164
(5-Chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
CID 138718325
[5-Chloro-3-(hydroxymethyl)-2-methoxyphenyl]-hydroxysulfanium
CID 142286227
5-Chloro-2,3-dihydro-1-benzofuran;5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 160126328
5-Chloro-7-methyl-1,3-benzoxathiol-2-one
CID 10932490

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran (CID 134260535) is 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran is OSc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran?
The InChIKey is FWCBNBWONNVGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2S/c9-6-3-5-1-2-11-8(5)7(4-6)12-10/h3-4,10H,1-2H2.
What are the key properties of 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran?
5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran has a molecular weight of 202.66 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-hydroxysulfanyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 134260535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).