1-ethylsulfanyl-4-fluorobenzene;methanol

C9H13FOS — CID 178124027

IUPAC1-ethylsulfanyl-4-fluorobenzene;methanol
SMILESCCSc1ccc(F)cc1.CO
InChIInChI=1S/C8H9FS.CH4O/c1-2-10-8-5-3-7(9)4-6-8;1-2/h3-6H,2H2,1H3;2H,1H3
InChIKeyOPMMPNVBEHNJPP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.55
Rot. Bonds2

About 1-ethylsulfanyl-4-fluorobenzene;methanol

1-ethylsulfanyl-4-fluorobenzene;methanol (PubChem CID 178124027) has the molecular formula C9H13FOS and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-fluorobenzene;methanol.

Molecular Properties

Compound Name1-ethylsulfanyl-4-fluorobenzene;methanol
PubChem CID178124027
Molecular FormulaC9H13FOS
Molecular Weight188.27 g/mol
Exact Mass188.07
IUPAC Name1-ethylsulfanyl-4-fluorobenzene;methanol
SMILESCCSc1ccc(F)cc1.CO
InChIInChI=1S/C8H9FS.CH4O/c1-2-10-8-5-3-7(9)4-6-8;1-2/h3-6H,2H2,1H3;2H,1H3
InChIKeyOPMMPNVBEHNJPP-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanone
CID 2758285
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
1-ethylsulfanyl-4-(3-fluorophenyl)benzene
CID 91658089
1-chloro-4-ethylsulfanylbenzene
CID 5324154
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
2-(3,5-difluorophenyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848111

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-fluorobenzene;methanol?
The IUPAC name of 1-ethylsulfanyl-4-fluorobenzene;methanol (CID 178124027) is 1-ethylsulfanyl-4-fluorobenzene;methanol.
What is the SMILES notation for 1-ethylsulfanyl-4-fluorobenzene;methanol?
The canonical SMILES for 1-ethylsulfanyl-4-fluorobenzene;methanol is CCSc1ccc(F)cc1.CO.
What is the InChIKey of 1-ethylsulfanyl-4-fluorobenzene;methanol?
The InChIKey is OPMMPNVBEHNJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS.CH4O/c1-2-10-8-5-3-7(9)4-6-8;1-2/h3-6H,2H2,1H3;2H,1H3.
What are the key properties of 1-ethylsulfanyl-4-fluorobenzene;methanol?
1-ethylsulfanyl-4-fluorobenzene;methanol has a molecular weight of 188.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-fluorobenzene;methanol is sourced from PubChem (CID 178124027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).