1H-inden-1-ylmethanesulfinate

C10H9O2S- — CID 68565996

IUPAC1H-inden-1-ylmethanesulfinate
SMILESO=S([O-])CC1C=Cc2ccccc21
InChIInChI=1S/C10H10O2S/c11-13(12)7-9-6-5-8-3-1-2-4-10(8)9/h1-6,9H,7H2,(H,11,12)/p-1
InChIKeyFJVADPYOLOXYRA-UHFFFAOYSA-M
MW193.25 g/mol
LogP1.68
Rot. Bonds2

About 1H-inden-1-ylmethanesulfinate

1H-inden-1-ylmethanesulfinate (PubChem CID 68565996) has the molecular formula C10H9O2S- and a molecular weight of 193.25 g/mol. Its IUPAC name is 1H-inden-1-ylmethanesulfinate.

Molecular Properties

Compound Name1H-inden-1-ylmethanesulfinate
PubChem CID68565996
Molecular FormulaC10H9O2S-
Molecular Weight193.25 g/mol
Exact Mass193.03
IUPAC Name1H-inden-1-ylmethanesulfinate
SMILESO=S([O-])CC1C=Cc2ccccc21
InChIInChI=1S/C10H10O2S/c11-13(12)7-9-6-5-8-3-1-2-4-10(8)9/h1-6,9H,7H2,(H,11,12)/p-1
InChIKeyFJVADPYOLOXYRA-UHFFFAOYSA-M
XLogP1.68
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ylmethanesulfinate?
The IUPAC name of 1H-inden-1-ylmethanesulfinate (CID 68565996) is 1H-inden-1-ylmethanesulfinate.
What is the SMILES notation for 1H-inden-1-ylmethanesulfinate?
The canonical SMILES for 1H-inden-1-ylmethanesulfinate is O=S([O-])CC1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-ylmethanesulfinate?
The InChIKey is FJVADPYOLOXYRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O2S/c11-13(12)7-9-6-5-8-3-1-2-4-10(8)9/h1-6,9H,7H2,(H,11,12)/p-1.
What are the key properties of 1H-inden-1-ylmethanesulfinate?
1H-inden-1-ylmethanesulfinate has a molecular weight of 193.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ylmethanesulfinate is sourced from PubChem (CID 68565996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).