4-bromo-3-chloro-2-methylsulfanylphenol

C7H6BrClOS — CID 131361264

IUPAC4-bromo-3-chloro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(Br)c1Cl
InChIInChI=1S/C7H6BrClOS/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3,10H,1H3
InChIKeyDJBPMDMHHBJIAM-UHFFFAOYSA-N
MW253.55 g/mol
LogP3.53
Rot. Bonds1

About 4-bromo-3-chloro-2-methylsulfanylphenol

4-bromo-3-chloro-2-methylsulfanylphenol (PubChem CID 131361264) has the molecular formula C7H6BrClOS and a molecular weight of 253.55 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-bromo-3-chloro-2-methylsulfanylphenol
PubChem CID131361264
Molecular FormulaC7H6BrClOS
Molecular Weight253.55 g/mol
Exact Mass251.90
IUPAC Name4-bromo-3-chloro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(Br)c1Cl
InChIInChI=1S/C7H6BrClOS/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3,10H,1H3
InChIKeyDJBPMDMHHBJIAM-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-2-methylphenol;ethane
CID 162438700
2-methylsulfanylbenzene-1,3-diol
CID 68838462
1-bromo-2-chloro-3-methylsulfanyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 164578579
1-bromo-2-chloro-3-ethylsulfanyl-4-fluorobenzene
CID 171367258
6-chloro-3-hydroxy-2-methylsulfanylbenzaldehyde
CID 105454924
4-bromo-3-chloro-2-(phosphanylmethyl)phenol
CID 156723445
4-bromo-2-chloro-3-(hydroxymethyl)phenol
CID 66643855
2-[(4-bromo-3-chloro-2-methylsulfanylphenoxy)methoxy]ethyl-trimethylsilane
CID 156738835
1-bromo-4-chloro-3-methoxy-2-methylsulfanylbenzene
CID 131308860
1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208
2,3-dibromobenzene-1,4-diol;2,3-dichlorobenzene-1,4-diol
CID 174923260
4-bromo-3-chloro-2-(3-hydroxypropyl)phenol
CID 172819441

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-methylsulfanylphenol?
The IUPAC name of 4-bromo-3-chloro-2-methylsulfanylphenol (CID 131361264) is 4-bromo-3-chloro-2-methylsulfanylphenol.
What is the SMILES notation for 4-bromo-3-chloro-2-methylsulfanylphenol?
The canonical SMILES for 4-bromo-3-chloro-2-methylsulfanylphenol is CSc1c(O)ccc(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloro-2-methylsulfanylphenol?
The InChIKey is DJBPMDMHHBJIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClOS/c1-11-7-5(10)3-2-4(8)6(7)9/h2-3,10H,1H3.
What are the key properties of 4-bromo-3-chloro-2-methylsulfanylphenol?
4-bromo-3-chloro-2-methylsulfanylphenol has a molecular weight of 253.55 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-methylsulfanylphenol is sourced from PubChem (CID 131361264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).