2-bromo-5-(difluoromethoxy)benzenethiol

C7H5BrF2OS — CID 119002575

IUPAC2-bromo-5-(difluoromethoxy)benzenethiol
SMILESFC(F)Oc1ccc(Br)c(S)c1
InChIInChI=1S/C7H5BrF2OS/c8-5-2-1-4(3-6(5)12)11-7(9)10/h1-3,7,12H
InChIKeyULOQRMFBEYDRFL-UHFFFAOYSA-N
MW255.08 g/mol
LogP3.34
Rot. Bonds2

About 2-bromo-5-(difluoromethoxy)benzenethiol

2-bromo-5-(difluoromethoxy)benzenethiol (PubChem CID 119002575) has the molecular formula C7H5BrF2OS and a molecular weight of 255.08 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethoxy)benzenethiol.

Molecular Properties

Compound Name2-bromo-5-(difluoromethoxy)benzenethiol
PubChem CID119002575
Molecular FormulaC7H5BrF2OS
Molecular Weight255.08 g/mol
Exact Mass253.92
IUPAC Name2-bromo-5-(difluoromethoxy)benzenethiol
SMILESFC(F)Oc1ccc(Br)c(S)c1
InChIInChI=1S/C7H5BrF2OS/c8-5-2-1-4(3-6(5)12)11-7(9)10/h1-3,7,12H
InChIKeyULOQRMFBEYDRFL-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(difluoromethoxy)benzenethiol
CID 119002966
1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119015899
3-[4-(difluoromethoxy)-2-sulfanylphenyl]propanal
CID 118818662
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
3-bromo-1-[5-(difluoromethoxy)-2-sulfanylphenyl]propan-1-one
CID 134625019
4-bromo-6-(difluoromethoxy)quinoline
CID 114763893
2-bromo-4-(difluoromethoxy)-1-isocyanatobenzene
CID 159457941
3-bromo-5-(difluoromethoxy)benzenethiol
CID 121227931
2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
CID 134625353
1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one
CID 134616182
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethoxy)benzenethiol?
The IUPAC name of 2-bromo-5-(difluoromethoxy)benzenethiol (CID 119002575) is 2-bromo-5-(difluoromethoxy)benzenethiol.
What is the SMILES notation for 2-bromo-5-(difluoromethoxy)benzenethiol?
The canonical SMILES for 2-bromo-5-(difluoromethoxy)benzenethiol is FC(F)Oc1ccc(Br)c(S)c1.
What is the InChIKey of 2-bromo-5-(difluoromethoxy)benzenethiol?
The InChIKey is ULOQRMFBEYDRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2OS/c8-5-2-1-4(3-6(5)12)11-7(9)10/h1-3,7,12H.
What are the key properties of 2-bromo-5-(difluoromethoxy)benzenethiol?
2-bromo-5-(difluoromethoxy)benzenethiol has a molecular weight of 255.08 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethoxy)benzenethiol is sourced from PubChem (CID 119002575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).