1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione

C11H12S — CID 154988579

IUPAC1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
SMILESC/C=C\c1ccccc1C(C)=S
InChIInChI=1S/C11H12S/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3-8H,1-2H3/b6-3-
InChIKeyHJQHXWQOALYDBH-UTCJRWHESA-N
MW176.28 g/mol
LogP3.46
Rot. Bonds2

About 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione

1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione (PubChem CID 154988579) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione.

Molecular Properties

Compound Name1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
PubChem CID154988579
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione
SMILESC/C=C\c1ccccc1C(C)=S
InChIInChI=1S/C11H12S/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3-8H,1-2H3/b6-3-
InChIKeyHJQHXWQOALYDBH-UTCJRWHESA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione?
The IUPAC name of 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione (CID 154988579) is 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione.
What is the SMILES notation for 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione?
The canonical SMILES for 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione is C/C=C\c1ccccc1C(C)=S.
What is the InChIKey of 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione?
The InChIKey is HJQHXWQOALYDBH-UTCJRWHESA-N. The full InChI is InChI=1S/C11H12S/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3-8H,1-2H3/b6-3-.
What are the key properties of 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione?
1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione has a molecular weight of 176.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(Z)-prop-1-enyl]phenyl]ethanethione is sourced from PubChem (CID 154988579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).