methyl (R)-benzenesulfinate

C7H8O2S — CID 11735002

IUPACmethyl (R)-benzenesulfinate
SMILESCO[S@@](=O)c1ccccc1
InChIInChI=1S/C7H8O2S/c1-9-10(8)7-5-3-2-4-6-7/h2-6H,1H3/t10-/m1/s1
InChIKeyPSNSVDSRLUYDKF-SNVBAGLBSA-N
MW156.21 g/mol
LogP1.36
Rot. Bonds2

About methyl (R)-benzenesulfinate

methyl (R)-benzenesulfinate (PubChem CID 11735002) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is methyl (R)-benzenesulfinate.

Molecular Properties

Compound Namemethyl (R)-benzenesulfinate
PubChem CID11735002
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Namemethyl (R)-benzenesulfinate
SMILESCO[S@@](=O)c1ccccc1
InChIInChI=1S/C7H8O2S/c1-9-10(8)7-5-3-2-4-6-7/h2-6H,1H3/t10-/m1/s1
InChIKeyPSNSVDSRLUYDKF-SNVBAGLBSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl pyridine-3-sulfinate
CID 18713773
ethyl benzenesulfinate
CID 6421224
CID 175810249
CID 175810249
benzyl benzenesulfinate
CID 14197759
1-(benzenesulfinyl)ethenylsulfinylbenzene
CID 19348887
phenyl 4-methoxybenzenesulfinate
CID 20694097
2-methoxysulfinylbenzoic acid
CID 19855526
magnesium benzenesulfinate
CID 68530435
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
disodium;anisole;sulfite
CID 158776652
(1-phenylethylideneamino) benzenesulfinate
CID 72534623
dipotassium;benzenesulfinate;hydride
CID 175501650

Frequently Asked Questions

What is the IUPAC name of methyl (R)-benzenesulfinate?
The IUPAC name of methyl (R)-benzenesulfinate (CID 11735002) is methyl (R)-benzenesulfinate.
What is the SMILES notation for methyl (R)-benzenesulfinate?
The canonical SMILES for methyl (R)-benzenesulfinate is CO[S@@](=O)c1ccccc1.
What is the InChIKey of methyl (R)-benzenesulfinate?
The InChIKey is PSNSVDSRLUYDKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C7H8O2S/c1-9-10(8)7-5-3-2-4-6-7/h2-6H,1H3/t10-/m1/s1.
What are the key properties of methyl (R)-benzenesulfinate?
methyl (R)-benzenesulfinate has a molecular weight of 156.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (R)-benzenesulfinate is sourced from PubChem (CID 11735002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).