ethane;1-fluoro-4-methylsulfinylbenzene

C9H13FOS — CID 144882301

IUPACethane;1-fluoro-4-methylsulfinylbenzene
SMILESCC.CS(=O)c1ccc(F)cc1
InChIInChI=1S/C7H7FOS.C2H6/c1-10(9)7-4-2-6(8)3-5-7;1-2/h2-5H,1H3;1-2H3
InChIKeyXQVKTBJTROAZSR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.59
Rot. Bonds1

About ethane;1-fluoro-4-methylsulfinylbenzene

ethane;1-fluoro-4-methylsulfinylbenzene (PubChem CID 144882301) has the molecular formula C9H13FOS and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;1-fluoro-4-methylsulfinylbenzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-methylsulfinylbenzene
PubChem CID144882301
Molecular FormulaC9H13FOS
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Nameethane;1-fluoro-4-methylsulfinylbenzene
SMILESCC.CS(=O)c1ccc(F)cc1
InChIInChI=1S/C7H7FOS.C2H6/c1-10(9)7-4-2-6(8)3-5-7;1-2/h2-5H,1H3;1-2H3
InChIKeyXQVKTBJTROAZSR-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-fluoro-4-methylsulfinylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-methylsulfinylbenzene?
The IUPAC name of ethane;1-fluoro-4-methylsulfinylbenzene (CID 144882301) is ethane;1-fluoro-4-methylsulfinylbenzene.
What is the SMILES notation for ethane;1-fluoro-4-methylsulfinylbenzene?
The canonical SMILES for ethane;1-fluoro-4-methylsulfinylbenzene is CC.CS(=O)c1ccc(F)cc1.
What is the InChIKey of ethane;1-fluoro-4-methylsulfinylbenzene?
The InChIKey is XQVKTBJTROAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FOS.C2H6/c1-10(9)7-4-2-6(8)3-5-7;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-methylsulfinylbenzene?
ethane;1-fluoro-4-methylsulfinylbenzene has a molecular weight of 188.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-methylsulfinylbenzene is sourced from PubChem (CID 144882301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).