3,5-dichloro-2-(trifluoromethyl)benzenethiol

C7H3Cl2F3S — CID 151186428

IUPAC3,5-dichloro-2-(trifluoromethyl)benzenethiol
SMILESFC(F)(F)c1c(S)cc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl2F3S/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2,13H
InChIKeyNFKBWELENABCEN-UHFFFAOYSA-N
MW247.07 g/mol
LogP4.30
Rot. Bonds

About 3,5-dichloro-2-(trifluoromethyl)benzenethiol

3,5-dichloro-2-(trifluoromethyl)benzenethiol (PubChem CID 151186428) has the molecular formula C7H3Cl2F3S and a molecular weight of 247.07 g/mol. Its IUPAC name is 3,5-dichloro-2-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name3,5-dichloro-2-(trifluoromethyl)benzenethiol
PubChem CID151186428
Molecular FormulaC7H3Cl2F3S
Molecular Weight247.07 g/mol
Exact Mass245.93
IUPAC Name3,5-dichloro-2-(trifluoromethyl)benzenethiol
SMILESFC(F)(F)c1c(S)cc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl2F3S/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2,13H
InChIKeyNFKBWELENABCEN-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922
[3,5-dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 154931725
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636380
1,3,5-trichloro-2-[3-methoxy-2-(trifluoromethyl)phenyl]benzene
CID 134627077
1,3-dichloro-5-(3,5-dichlorophenyl)-2-(trichloromethyl)benzene
CID 15191122
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
1-chloro-3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)benzene
CID 171003163

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(trifluoromethyl)benzenethiol?
The IUPAC name of 3,5-dichloro-2-(trifluoromethyl)benzenethiol (CID 151186428) is 3,5-dichloro-2-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 3,5-dichloro-2-(trifluoromethyl)benzenethiol?
The canonical SMILES for 3,5-dichloro-2-(trifluoromethyl)benzenethiol is FC(F)(F)c1c(S)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-(trifluoromethyl)benzenethiol?
The InChIKey is NFKBWELENABCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3S/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2,13H.
What are the key properties of 3,5-dichloro-2-(trifluoromethyl)benzenethiol?
3,5-dichloro-2-(trifluoromethyl)benzenethiol has a molecular weight of 247.07 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 151186428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).