5-chloro-2-(difluoromethoxy)benzenethiol

C7H5ClF2OS — CID 130775302

IUPAC5-chloro-2-(difluoromethoxy)benzenethiol
SMILESFC(F)Oc1ccc(Cl)cc1S
InChIInChI=1S/C7H5ClF2OS/c8-4-1-2-5(6(12)3-4)11-7(9)10/h1-3,7,12H
InChIKeyUJKMYKWEOAADAL-UHFFFAOYSA-N
MW210.63 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-2-(difluoromethoxy)benzenethiol

5-chloro-2-(difluoromethoxy)benzenethiol (PubChem CID 130775302) has the molecular formula C7H5ClF2OS and a molecular weight of 210.63 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)benzenethiol.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)benzenethiol
PubChem CID130775302
Molecular FormulaC7H5ClF2OS
Molecular Weight210.63 g/mol
Exact Mass209.97
IUPAC Name5-chloro-2-(difluoromethoxy)benzenethiol
SMILESFC(F)Oc1ccc(Cl)cc1S
InChIInChI=1S/C7H5ClF2OS/c8-4-1-2-5(6(12)3-4)11-7(9)10/h1-3,7,12H
InChIKeyUJKMYKWEOAADAL-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 53.23
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

4-chloro-2-(difluoromethoxy)aniline
CID 19439738
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
[5-chloro-2-(difluoromethoxy)phenyl]hydrazine;hydrochloride
CID 165125557
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
5-chloro-2-ethoxybenzenethiol
CID 91656523
1-(4-chloro-2-sulfanylphenoxy)-1-hydroxy-4-methylpentan-3-one
CID 21442399
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
2-[4-(difluoromethoxy)-3-sulfanylphenyl]propanal
CID 134639709
4-chloro-2-(difluoromethoxy)benzoyl chloride
CID 131010858
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)benzenethiol?
The IUPAC name of 5-chloro-2-(difluoromethoxy)benzenethiol (CID 130775302) is 5-chloro-2-(difluoromethoxy)benzenethiol.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)benzenethiol?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)benzenethiol is FC(F)Oc1ccc(Cl)cc1S.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)benzenethiol?
The InChIKey is UJKMYKWEOAADAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2OS/c8-4-1-2-5(6(12)3-4)11-7(9)10/h1-3,7,12H.
What are the key properties of 5-chloro-2-(difluoromethoxy)benzenethiol?
5-chloro-2-(difluoromethoxy)benzenethiol has a molecular weight of 210.63 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)benzenethiol is sourced from PubChem (CID 130775302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).