4-fluoro-2-propan-2-ylbenzenethiol

C9H11FS — CID 67556850

IUPAC4-fluoro-2-propan-2-ylbenzenethiol
SMILESCC(C)c1cc(F)ccc1S
InChIInChI=1S/C9H11FS/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
InChIKeyLYNSPCJVHOASRM-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.24
Rot. Bonds1

About 4-fluoro-2-propan-2-ylbenzenethiol

4-fluoro-2-propan-2-ylbenzenethiol (PubChem CID 67556850) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-ylbenzenethiol.

Molecular Properties

Compound Name4-fluoro-2-propan-2-ylbenzenethiol
PubChem CID67556850
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name4-fluoro-2-propan-2-ylbenzenethiol
SMILESCC(C)c1cc(F)ccc1S
InChIInChI=1S/C9H11FS/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
InChIKeyLYNSPCJVHOASRM-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.24
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-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987
ethane;3-propan-2-yl-4-sulfanylphenol
CID 145374319
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 169242567
1-(4-fluoro-2-propan-2-ylphenyl)prop-2-en-1-ol
CID 176716143
2-ethyl-4-fluorobenzenethiol
CID 91874071
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
6-fluoro-1-methyl-3-propan-2-ylindole
CID 58525499
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-ylbenzenethiol?
The IUPAC name of 4-fluoro-2-propan-2-ylbenzenethiol (CID 67556850) is 4-fluoro-2-propan-2-ylbenzenethiol.
What is the SMILES notation for 4-fluoro-2-propan-2-ylbenzenethiol?
The canonical SMILES for 4-fluoro-2-propan-2-ylbenzenethiol is CC(C)c1cc(F)ccc1S.
What is the InChIKey of 4-fluoro-2-propan-2-ylbenzenethiol?
The InChIKey is LYNSPCJVHOASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3.
What are the key properties of 4-fluoro-2-propan-2-ylbenzenethiol?
4-fluoro-2-propan-2-ylbenzenethiol has a molecular weight of 170.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-ylbenzenethiol is sourced from PubChem (CID 67556850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).