3-(4-fluorophenyl)-2-methylpropane-1-thiol

C10H13FS — CID 83930913

IUPAC3-(4-fluorophenyl)-2-methylpropane-1-thiol
SMILESCC(CS)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FS/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8,12H,6-7H2,1H3
InChIKeyBKTICSFVTRCLLG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-fluorophenyl)-2-methylpropane-1-thiol

3-(4-fluorophenyl)-2-methylpropane-1-thiol (PubChem CID 83930913) has the molecular formula C10H13FS and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylpropane-1-thiol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylpropane-1-thiol
PubChem CID83930913
Molecular FormulaC10H13FS
Molecular Weight184.28 g/mol
Exact Mass184.07
IUPAC Name3-(4-fluorophenyl)-2-methylpropane-1-thiol
SMILESCC(CS)Cc1ccc(F)cc1
InChIInChI=1S/C10H13FS/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8,12H,6-7H2,1H3
InChIKeyBKTICSFVTRCLLG-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
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-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
2-methyl-3-phenylpropane-1-thiol
CID 19981761
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877
1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
CID 162726876
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
3-[3-(4-fluorophenyl)-2-methylpropyl]aniline
CID 19834544
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
CID 114282016
(2S)-2-fluoro-3-(4-fluorophenyl)propan-1-ol
CID 101494276
1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylpropane-1-thiol?
The IUPAC name of 3-(4-fluorophenyl)-2-methylpropane-1-thiol (CID 83930913) is 3-(4-fluorophenyl)-2-methylpropane-1-thiol.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylpropane-1-thiol?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylpropane-1-thiol is CC(CS)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methylpropane-1-thiol?
The InChIKey is BKTICSFVTRCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FS/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methylpropane-1-thiol?
3-(4-fluorophenyl)-2-methylpropane-1-thiol has a molecular weight of 184.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylpropane-1-thiol is sourced from PubChem (CID 83930913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).