9H-fluoren-9-ylmethanesulfinic acid

C14H12O2S — CID 118869846

IUPAC9H-fluoren-9-ylmethanesulfinic acid
SMILESO=S(O)CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H12O2S/c15-17(16)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,15,16)
InChIKeyXPGXUOUVNLAQSI-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.02
Rot. Bonds2

About 9H-fluoren-9-ylmethanesulfinic acid

9H-fluoren-9-ylmethanesulfinic acid (PubChem CID 118869846) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethanesulfinic acid.

Molecular Properties

Compound Name9H-fluoren-9-ylmethanesulfinic acid
PubChem CID118869846
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name9H-fluoren-9-ylmethanesulfinic acid
SMILESO=S(O)CC1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H12O2S/c15-17(16)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,15,16)
InChIKeyXPGXUOUVNLAQSI-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene-9-sulfinate
CID 175197290
9-fluoro-9H-fluorene
CID 12685099
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
4-(9H-fluoren-9-yl)butan-1-ol
CID 10060129
lithium 9-ethyl-9H-fluorene
CID 23225742
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
3-oxo-1,2-dihydroindene-1-sulfinic acid
CID 175208861
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethanesulfinic acid?
The IUPAC name of 9H-fluoren-9-ylmethanesulfinic acid (CID 118869846) is 9H-fluoren-9-ylmethanesulfinic acid.
What is the SMILES notation for 9H-fluoren-9-ylmethanesulfinic acid?
The canonical SMILES for 9H-fluoren-9-ylmethanesulfinic acid is O=S(O)CC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethanesulfinic acid?
The InChIKey is XPGXUOUVNLAQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-17(16)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,15,16).
What are the key properties of 9H-fluoren-9-ylmethanesulfinic acid?
9H-fluoren-9-ylmethanesulfinic acid has a molecular weight of 244.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethanesulfinic acid is sourced from PubChem (CID 118869846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).