2-fluoro-1-methoxy-3-methylsulfanylbenzene

C8H9FOS — CID 91881055

IUPAC2-fluoro-1-methoxy-3-methylsulfanylbenzene
SMILESCOc1cccc(SC)c1F
InChIInChI=1S/C8H9FOS/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
InChIKeyKENRTJVEPKOMLP-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.56
Rot. Bonds2

About 2-fluoro-1-methoxy-3-methylsulfanylbenzene

2-fluoro-1-methoxy-3-methylsulfanylbenzene (PubChem CID 91881055) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-methylsulfanylbenzene
PubChem CID91881055
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name2-fluoro-1-methoxy-3-methylsulfanylbenzene
SMILESCOc1cccc(SC)c1F
InChIInChI=1S/C8H9FOS/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
InChIKeyKENRTJVEPKOMLP-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
CID 130784452
4-(2-fluoro-3-methoxyphenyl)sulfanylbenzoic acid
CID 154448195
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
CID 117299512
methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate
CID 155035663
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-ol
CID 117300712
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
CID 117303266
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1-methoxy-3-methylsulfanylbenzene (CID 91881055) is 2-fluoro-1-methoxy-3-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-methylsulfanylbenzene is COc1cccc(SC)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-methylsulfanylbenzene?
The InChIKey is KENRTJVEPKOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-3-methylsulfanylbenzene?
2-fluoro-1-methoxy-3-methylsulfanylbenzene has a molecular weight of 172.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-methylsulfanylbenzene is sourced from PubChem (CID 91881055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).