3,5-difluoro-2,4-dimethylbenzenethiol

C8H8F2S — CID 175617271

IUPAC3,5-difluoro-2,4-dimethylbenzenethiol
SMILESCc1c(F)cc(S)c(C)c1F
InChIInChI=1S/C8H8F2S/c1-4-6(9)3-7(11)5(2)8(4)10/h3,11H,1-2H3
InChIKeyYFORIUILAISNEI-UHFFFAOYSA-N
MW174.22 g/mol
LogP2.87
Rot. Bonds

About 3,5-difluoro-2,4-dimethylbenzenethiol

3,5-difluoro-2,4-dimethylbenzenethiol (PubChem CID 175617271) has the molecular formula C8H8F2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 3,5-difluoro-2,4-dimethylbenzenethiol.

Molecular Properties

Compound Name3,5-difluoro-2,4-dimethylbenzenethiol
PubChem CID175617271
Molecular FormulaC8H8F2S
Molecular Weight174.22 g/mol
Exact Mass174.03
IUPAC Name3,5-difluoro-2,4-dimethylbenzenethiol
SMILESCc1c(F)cc(S)c(C)c1F
InChIInChI=1S/C8H8F2S/c1-4-6(9)3-7(11)5(2)8(4)10/h3,11H,1-2H3
InChIKeyYFORIUILAISNEI-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.87
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

2,4-difluoro-6-iodo-3-methylbenzenethiol
CID 174810107
(3,5-difluoro-2,4-dimethylphenyl)methanamine
CID 84765917
2,5-difluorobenzene-1,4-dithiol
CID 58340204
1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
CID 153368730
2-chloro-1,3,5-trifluoro-4-methylbenzene
CID 54150914
2,4,5-trifluorobenzenethiol
CID 22351592
5-fluoro-4-methyl-2-phosphanylbenzenethiol
CID 144704410
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485
3-chloro-5-fluoro-2-methylbenzenethiol
CID 130912771
2-chloro-1,5-difluoro-3,4-dimethylbenzene
CID 143320030
CID 144806033
CID 144806033
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2,4-dimethylbenzenethiol?
The IUPAC name of 3,5-difluoro-2,4-dimethylbenzenethiol (CID 175617271) is 3,5-difluoro-2,4-dimethylbenzenethiol.
What is the SMILES notation for 3,5-difluoro-2,4-dimethylbenzenethiol?
The canonical SMILES for 3,5-difluoro-2,4-dimethylbenzenethiol is Cc1c(F)cc(S)c(C)c1F.
What is the InChIKey of 3,5-difluoro-2,4-dimethylbenzenethiol?
The InChIKey is YFORIUILAISNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S/c1-4-6(9)3-7(11)5(2)8(4)10/h3,11H,1-2H3.
What are the key properties of 3,5-difluoro-2,4-dimethylbenzenethiol?
3,5-difluoro-2,4-dimethylbenzenethiol has a molecular weight of 174.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2,4-dimethylbenzenethiol is sourced from PubChem (CID 175617271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).