3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol

C10H11FS — CID 169454674

IUPAC3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol
SMILESCc1cc(F)cc(C=CCS)c1
InChIInChI=1S/C10H11FS/c1-8-5-9(3-2-4-12)7-10(11)6-8/h2-3,5-7,12H,4H2,1H3
InChIKeyMCARLLGSRBPVCB-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.08
Rot. Bonds2

About 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol

3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol (PubChem CID 169454674) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol
PubChem CID169454674
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol
SMILESCc1cc(F)cc(C=CCS)c1
InChIInChI=1S/C10H11FS/c1-8-5-9(3-2-4-12)7-10(11)6-8/h2-3,5-7,12H,4H2,1H3
InChIKeyMCARLLGSRBPVCB-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.08
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

3-(3-chloro-5-fluorophenyl)prop-2-ene-1-thiol
CID 169454710
3-(3-methoxy-5-methylphenyl)prop-2-ene-1-thiol
CID 169455064
3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-ene-1-thiol
CID 169455659
1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
CID 21304348
3-(3-ethoxy-5-fluorophenyl)prop-2-ene-1-thiol
CID 169455447
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
N-tert-butyl-4-(3-fluoro-5-methylphenyl)but-3-en-1-amine
CID 79703507
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
2,3-difluoro-5-(3-sulfanylprop-1-enyl)phenol
CID 169455083
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol?
The IUPAC name of 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol (CID 169454674) is 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol.
What is the SMILES notation for 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol?
The canonical SMILES for 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol is Cc1cc(F)cc(C=CCS)c1.
What is the InChIKey of 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol?
The InChIKey is MCARLLGSRBPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS/c1-8-5-9(3-2-4-12)7-10(11)6-8/h2-3,5-7,12H,4H2,1H3.
What are the key properties of 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol?
3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol has a molecular weight of 182.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol is sourced from PubChem (CID 169454674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).