2-chloro-5-(trifluoromethoxy)benzenethiol

C7H4ClF3OS — CID 170997751

IUPAC2-chloro-5-(trifluoromethoxy)benzenethiol
SMILESFC(F)(F)Oc1ccc(Cl)c(S)c1
InChIInChI=1S/C7H4ClF3OS/c8-5-2-1-4(3-6(5)13)12-7(9,10)11/h1-3,13H
InChIKeyVYZOVORAVNQHBC-UHFFFAOYSA-N
MW228.62 g/mol
LogP3.53
Rot. Bonds1

About 2-chloro-5-(trifluoromethoxy)benzenethiol

2-chloro-5-(trifluoromethoxy)benzenethiol (PubChem CID 170997751) has the molecular formula C7H4ClF3OS and a molecular weight of 228.62 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethoxy)benzenethiol.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethoxy)benzenethiol
PubChem CID170997751
Molecular FormulaC7H4ClF3OS
Molecular Weight228.62 g/mol
Exact Mass227.96
IUPAC Name2-chloro-5-(trifluoromethoxy)benzenethiol
SMILESFC(F)(F)Oc1ccc(Cl)c(S)c1
InChIInChI=1S/C7H4ClF3OS/c8-5-2-1-4(3-6(5)13)12-7(9,10)11/h1-3,13H
InChIKeyVYZOVORAVNQHBC-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.62
LogP ≤ 53.53
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

1,2,4-trichloro-5-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119003676
[2-chloro-5-(trifluoromethoxy)phenyl]-trifluoroboranuide
CID 167717521
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-phenyl-4-(trifluoromethoxy)benzenethiol
CID 90189291
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
methyl 2-sulfanyl-4-(trifluoromethoxy)benzoate
CID 170999373
1-[2-chloro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 146009854
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171028846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethoxy)benzenethiol?
The IUPAC name of 2-chloro-5-(trifluoromethoxy)benzenethiol (CID 170997751) is 2-chloro-5-(trifluoromethoxy)benzenethiol.
What is the SMILES notation for 2-chloro-5-(trifluoromethoxy)benzenethiol?
The canonical SMILES for 2-chloro-5-(trifluoromethoxy)benzenethiol is FC(F)(F)Oc1ccc(Cl)c(S)c1.
What is the InChIKey of 2-chloro-5-(trifluoromethoxy)benzenethiol?
The InChIKey is VYZOVORAVNQHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3OS/c8-5-2-1-4(3-6(5)13)12-7(9,10)11/h1-3,13H.
What are the key properties of 2-chloro-5-(trifluoromethoxy)benzenethiol?
2-chloro-5-(trifluoromethoxy)benzenethiol has a molecular weight of 228.62 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 2-chloro-5-(trifluoromethoxy)benzenethiol is sourced from PubChem (CID 170997751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).