CID 175810249

C9H12NaO2S — CID 175810249

IUPAC—
SMILESCC(C)OS(=O)c1ccccc1.[Na]
InChIInChI=1S/C9H12O2S.Na/c1-8(2)11-12(10)9-6-4-3-5-7-9;/h3-8H,1-2H3;
InChIKeyLVXOMZZQRDINKF-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.75
Rot. Bonds3

About CID 175810249

CID 175810249 (PubChem CID 175810249) has the molecular formula C9H12NaO2S and a molecular weight of 207.25 g/mol.

Molecular Properties

Compound NameCID 175810249
PubChem CID175810249
Molecular FormulaC9H12NaO2S
Molecular Weight207.25 g/mol
Exact Mass207.05
IUPAC Name—
SMILESCC(C)OS(=O)c1ccccc1.[Na]
InChIInChI=1S/C9H12O2S.Na/c1-8(2)11-12(10)9-6-4-3-5-7-9;/h3-8H,1-2H3;
InChIKeyLVXOMZZQRDINKF-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 175810249 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (R)-4-iodobenzenesulfinate
CID 171061225
methyl (R)-benzenesulfinate
CID 11735002
ethyl benzenesulfinate
CID 6421224
[(R)-[(1R)-1-bromoethyl]sulfinyl]benzene
CID 16720775
ethane;trifluoromethylsulfinylbenzene
CID 142140628
1-phenylpropyl 4-methylbenzenesulfinate
CID 75274763
(2R)-2-(benzenesulfinyl)propanoic acid
CID 100915860
benzyl benzenesulfinate
CID 14197759
cumene;methylsulfinylbenzene
CID 143291926
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
CID 11206200
(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
2-(benzenesulfinyl)-3-methylbutanoic acid
CID 61304717

Frequently Asked Questions

What is the IUPAC name of CID 175810249?
The IUPAC name of CID 175810249 (CID 175810249) is not available.
What is the SMILES notation for CID 175810249?
The canonical SMILES for CID 175810249 is CC(C)OS(=O)c1ccccc1.[Na].
What is the InChIKey of CID 175810249?
The InChIKey is LVXOMZZQRDINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S.Na/c1-8(2)11-12(10)9-6-4-3-5-7-9;/h3-8H,1-2H3;.
What are the key properties of CID 175810249?
CID 175810249 has a molecular weight of 207.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175810249 is sourced from PubChem (CID 175810249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).