2,5-dibromo-1-methoxy-3-methylsulfanylbenzene

C8H8Br2OS — CID 74891357

IUPAC2,5-dibromo-1-methoxy-3-methylsulfanylbenzene
SMILESCOc1cc(Br)cc(SC)c1Br
InChIInChI=1S/C8H8Br2OS/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKeyWRECEHQGYBWLJI-UHFFFAOYSA-N
MW312.03 g/mol
LogP3.94
Rot. Bonds2

About 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene

2,5-dibromo-1-methoxy-3-methylsulfanylbenzene (PubChem CID 74891357) has the molecular formula C8H8Br2OS and a molecular weight of 312.03 g/mol. Its IUPAC name is 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene.

Molecular Properties

Compound Name2,5-dibromo-1-methoxy-3-methylsulfanylbenzene
PubChem CID74891357
Molecular FormulaC8H8Br2OS
Molecular Weight312.03 g/mol
Exact Mass309.87
IUPAC Name2,5-dibromo-1-methoxy-3-methylsulfanylbenzene
SMILESCOc1cc(Br)cc(SC)c1Br
InChIInChI=1S/C8H8Br2OS/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
InChIKeyWRECEHQGYBWLJI-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.03
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
5-bromo-1-ethylsulfanyl-2-fluoro-3-methoxybenzene
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5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
5-bromo-2-fluoro-1-methoxy-3-methylbenzene
CID 74891119
5-bromo-2-fluoro-1-iodo-3-methoxybenzene
CID 162421202
1,5-dibromo-2-methyl-3-methylsulfanylbenzene
CID 20756945
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
1,3,4-tribromo-2-chloro-5-methoxybenzene
CID 169336784
4-bromo-3,5-dimethoxyphenol
CID 14339099
1-bromo-2-methoxy-5-methylsulfanyl-4-(trifluoromethyl)benzene
CID 166108119
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CID 156543234

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene?
The IUPAC name of 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene (CID 74891357) is 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene.
What is the SMILES notation for 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene?
The canonical SMILES for 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene is COc1cc(Br)cc(SC)c1Br.
What is the InChIKey of 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene?
The InChIKey is WRECEHQGYBWLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2OS/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3.
What are the key properties of 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene?
2,5-dibromo-1-methoxy-3-methylsulfanylbenzene has a molecular weight of 312.03 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-methoxy-3-methylsulfanylbenzene is sourced from PubChem (CID 74891357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).