3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene

C9H10F2OS — CID 164895356

IUPAC3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
SMILESCOc1cc(SC)c(F)c(F)c1C
InChIInChI=1S/C9H10F2OS/c1-5-6(12-2)4-7(13-3)9(11)8(5)10/h4H,1-3H3
InChIKeyLXGVWMOLPGWMRS-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.00
Rot. Bonds2

About 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene

3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene (PubChem CID 164895356) has the molecular formula C9H10F2OS and a molecular weight of 204.24 g/mol. Its IUPAC name is 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene.

Molecular Properties

Compound Name3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
PubChem CID164895356
Molecular FormulaC9H10F2OS
Molecular Weight204.24 g/mol
Exact Mass204.04
IUPAC Name3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
SMILESCOc1cc(SC)c(F)c(F)c1C
InChIInChI=1S/C9H10F2OS/c1-5-6(12-2)4-7(13-3)9(11)8(5)10/h4H,1-3H3
InChIKeyLXGVWMOLPGWMRS-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
CID 169326636
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
CID 130850117
3-(2,3-difluoro-5-methoxy-4-methylanilino)propane-1,2-diol
CID 168593831
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
CID 130925961
1,4-dichloro-2-methoxy-5-methylsulfanylbenzene
CID 164892037
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
CID 130784452
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
(4,5-dimethoxy-2-methylphenyl) thiohypofluorite
CID 144923776

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene?
The IUPAC name of 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene (CID 164895356) is 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene.
What is the SMILES notation for 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene?
The canonical SMILES for 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene is COc1cc(SC)c(F)c(F)c1C.
What is the InChIKey of 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene?
The InChIKey is LXGVWMOLPGWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2OS/c1-5-6(12-2)4-7(13-3)9(11)8(5)10/h4H,1-3H3.
What are the key properties of 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene?
3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene has a molecular weight of 204.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene is sourced from PubChem (CID 164895356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).