ethane;1-fluoro-2-methylsulfanylbenzene

C9H13FS — CID 143031250

IUPACethane;1-fluoro-2-methylsulfanylbenzene
SMILESCC.CSc1ccccc1F
InChIInChI=1S/C7H7FS.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5H,1H3;1-2H3
InChIKeyIURMGDQUNHBHBO-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.57
Rot. Bonds1

About ethane;1-fluoro-2-methylsulfanylbenzene

ethane;1-fluoro-2-methylsulfanylbenzene (PubChem CID 143031250) has the molecular formula C9H13FS and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-fluoro-2-methylsulfanylbenzene.

Molecular Properties

Compound Nameethane;1-fluoro-2-methylsulfanylbenzene
PubChem CID143031250
Molecular FormulaC9H13FS
Molecular Weight172.27 g/mol
Exact Mass172.07
IUPAC Nameethane;1-fluoro-2-methylsulfanylbenzene
SMILESCC.CSc1ccccc1F
InChIInChI=1S/C7H7FS.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5H,1H3;1-2H3
InChIKeyIURMGDQUNHBHBO-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2-iodo-3-methylsulfanylbenzene
CID 91881041
1-(1-bromoethylsulfanyl)-2-fluorobenzene
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1-[(E)-but-2-enyl]sulfanyl-2-fluorobenzene
CID 131238678
1-fluoro-2-[(2-fluorophenyl)sulfanyl-methylphosphoryl]sulfanylbenzene
CID 175123517
(2-methylsulfanylphenyl)oxidanium
CID 143399169
N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
CID 145089031
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
CID 117288826
triethyl-[(2-fluorophenyl)disulfanyl]azanium
CID 174731021
ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
CID 142299997
cobalt;bis(2-methylsulfanylphenol);dihydrate
CID 70522952
CID 160556343
CID 160556343
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2-methylsulfanylbenzene?
The IUPAC name of ethane;1-fluoro-2-methylsulfanylbenzene (CID 143031250) is ethane;1-fluoro-2-methylsulfanylbenzene.
What is the SMILES notation for ethane;1-fluoro-2-methylsulfanylbenzene?
The canonical SMILES for ethane;1-fluoro-2-methylsulfanylbenzene is CC.CSc1ccccc1F.
What is the InChIKey of ethane;1-fluoro-2-methylsulfanylbenzene?
The InChIKey is IURMGDQUNHBHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FS.C2H6/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-2-methylsulfanylbenzene?
ethane;1-fluoro-2-methylsulfanylbenzene has a molecular weight of 172.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2-methylsulfanylbenzene is sourced from PubChem (CID 143031250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).