2-(4-methoxyphenyl)prop-2-ene-1-thiol

C10H12OS — CID 144986295

IUPAC2-(4-methoxyphenyl)prop-2-ene-1-thiol
SMILESC=C(CS)c1ccc(OC)cc1
InChIInChI=1S/C10H12OS/c1-8(7-12)9-3-5-10(11-2)6-4-9/h3-6,12H,1,7H2,2H3
InChIKeyHRZNYABOPIBYDM-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-methoxyphenyl)prop-2-ene-1-thiol

2-(4-methoxyphenyl)prop-2-ene-1-thiol (PubChem CID 144986295) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)prop-2-ene-1-thiol
PubChem CID144986295
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-(4-methoxyphenyl)prop-2-ene-1-thiol
SMILESC=C(CS)c1ccc(OC)cc1
InChIInChI=1S/C10H12OS/c1-8(7-12)9-3-5-10(11-2)6-4-9/h3-6,12H,1,7H2,2H3
InChIKeyHRZNYABOPIBYDM-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[1,1-dideuterio-2-(4-methoxyphenyl)prop-2-enyl]-4-methoxybenzene
CID 101367118
1-methoxy-4-(3-methylsulfonylprop-1-en-2-yl)benzene
CID 172676194
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
4-(4-methoxyphenyl)pent-4-enal
CID 102505314
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
1-[2-(4-methoxyphenyl)prop-2-enyl]piperidine
CID 53360981
1-methoxy-4-[3-(3,3,3-trifluoroprop-1-en-2-yloxy)prop-1-en-2-yl]benzene
CID 102437970
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
2-(4-methoxyphenyl)pentadec-1-ene-4-thiol
CID 175545483
CID 12714057
CID 12714057
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)prop-2-ene-1-thiol?
The IUPAC name of 2-(4-methoxyphenyl)prop-2-ene-1-thiol (CID 144986295) is 2-(4-methoxyphenyl)prop-2-ene-1-thiol.
What is the SMILES notation for 2-(4-methoxyphenyl)prop-2-ene-1-thiol?
The canonical SMILES for 2-(4-methoxyphenyl)prop-2-ene-1-thiol is C=C(CS)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)prop-2-ene-1-thiol?
The InChIKey is HRZNYABOPIBYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-8(7-12)9-3-5-10(11-2)6-4-9/h3-6,12H,1,7H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)prop-2-ene-1-thiol?
2-(4-methoxyphenyl)prop-2-ene-1-thiol has a molecular weight of 180.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)prop-2-ene-1-thiol is sourced from PubChem (CID 144986295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).