2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride

C10H19ClF4S — CID 173024933

IUPAC2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride
SMILESCC(C)(C)c1ccccc1S.Cl.F.F.F.F
InChIInChI=1S/C10H14S.ClH.4FH/c1-10(2,3)8-6-4-5-7-9(8)11;;;;;/h4-7,11H,1-3H3;5*1H
InChIKeyLTEVYXNNIMOTPS-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.30
Rot. Bonds

About 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride

2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride (PubChem CID 173024933) has the molecular formula C10H19ClF4S and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride.

Molecular Properties

Compound Name2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride
PubChem CID173024933
Molecular FormulaC10H19ClF4S
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride
SMILESCC(C)(C)c1ccccc1S.Cl.F.F.F.F
InChIInChI=1S/C10H14S.ClH.4FH/c1-10(2,3)8-6-4-5-7-9(8)11;;;;;/h4-7,11H,1-3H3;5*1H
InChIKeyLTEVYXNNIMOTPS-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
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

2,3-ditert-butylbenzenethiol
CID 22629957
CID 175472927
CID 175472927
2-(1-amino-2-methylpropan-2-yl)benzenethiol
CID 70419532
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
2-(2-phosphanylbutan-2-yl)benzenethiol
CID 130305375
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
2-[1-[4-[1,1-bis(2-sulfanylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethyl]benzenethiol
CID 155358414
2-tert-butylbenzenethiol;fluoro octane-1-sulfonate
CID 174689059
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
1-tert-butyl-2-iodobenzene
CID 637957
(2-tert-butylphenyl)azanium
CID 23026339

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride?
The IUPAC name of 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride (CID 173024933) is 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride.
What is the SMILES notation for 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride?
The canonical SMILES for 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride is CC(C)(C)c1ccccc1S.Cl.F.F.F.F.
What is the InChIKey of 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride?
The InChIKey is LTEVYXNNIMOTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.ClH.4FH/c1-10(2,3)8-6-4-5-7-9(8)11;;;;;/h4-7,11H,1-3H3;5*1H.
What are the key properties of 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride?
2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride has a molecular weight of 282.77 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 2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride is sourced from PubChem (CID 173024933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).