phenyl-(2-prop-2-enoxyphenyl)methanethione

C16H14OS — CID 14227059

IUPACphenyl-(2-prop-2-enoxyphenyl)methanethione
SMILESC=CCOc1ccccc1C(=S)c1ccccc1
InChIInChI=1S/C16H14OS/c1-2-12-17-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyBOGRZTSBJUYABN-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.02
Rot. Bonds5

About phenyl-(2-prop-2-enoxyphenyl)methanethione

phenyl-(2-prop-2-enoxyphenyl)methanethione (PubChem CID 14227059) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is phenyl-(2-prop-2-enoxyphenyl)methanethione.

Molecular Properties

Compound Namephenyl-(2-prop-2-enoxyphenyl)methanethione
PubChem CID14227059
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Namephenyl-(2-prop-2-enoxyphenyl)methanethione
SMILESC=CCOc1ccccc1C(=S)c1ccccc1
InChIInChI=1S/C16H14OS/c1-2-12-17-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyBOGRZTSBJUYABN-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
CID 70191473
CID 70191473
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
CID 67861260
1-(4-hydroxyphenyl)-5-(2-prop-2-enoxyphenyl)pentane-1,3,5-trione
CID 10806921
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
ethenyl 2-(2-benzoylphenoxy)acetate
CID 141075615
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-prop-2-enoxyphenyl)methanethione?
The IUPAC name of phenyl-(2-prop-2-enoxyphenyl)methanethione (CID 14227059) is phenyl-(2-prop-2-enoxyphenyl)methanethione.
What is the SMILES notation for phenyl-(2-prop-2-enoxyphenyl)methanethione?
The canonical SMILES for phenyl-(2-prop-2-enoxyphenyl)methanethione is C=CCOc1ccccc1C(=S)c1ccccc1.
What is the InChIKey of phenyl-(2-prop-2-enoxyphenyl)methanethione?
The InChIKey is BOGRZTSBJUYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-2-12-17-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h2-11H,1,12H2.
What are the key properties of phenyl-(2-prop-2-enoxyphenyl)methanethione?
phenyl-(2-prop-2-enoxyphenyl)methanethione has a molecular weight of 254.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-prop-2-enoxyphenyl)methanethione is sourced from PubChem (CID 14227059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).