1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione

C12H14S — CID 144945000

IUPAC1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione
SMILESC/C=C\c1cc(C)ccc1C(C)=S
InChIInChI=1S/C12H14S/c1-4-5-11-8-9(2)6-7-12(11)10(3)13/h4-8H,1-3H3/b5-4-
InChIKeyNCPIRVAWOROLTP-PLNGDYQASA-N
MW190.31 g/mol
LogP3.77
Rot. Bonds2

About 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione

1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione (PubChem CID 144945000) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione.

Molecular Properties

Compound Name1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione
PubChem CID144945000
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione
SMILESC/C=C\c1cc(C)ccc1C(C)=S
InChIInChI=1S/C12H14S/c1-4-5-11-8-9(2)6-7-12(11)10(3)13/h4-8H,1-3H3/b5-4-
InChIKeyNCPIRVAWOROLTP-PLNGDYQASA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.77
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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Related Compounds

4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574438
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574437
1-(4-chloro-2-prop-1-enylphenyl)ethanone
CID 77442507
2-ethynyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 153376187
2-[(Z)-but-2-en-2-yl]-5-methylphenol
CID 22825363
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole
CID 174386945
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione?
The IUPAC name of 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione (CID 144945000) is 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione.
What is the SMILES notation for 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione?
The canonical SMILES for 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione is C/C=C\c1cc(C)ccc1C(C)=S.
What is the InChIKey of 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione?
The InChIKey is NCPIRVAWOROLTP-PLNGDYQASA-N. The full InChI is InChI=1S/C12H14S/c1-4-5-11-8-9(2)6-7-12(11)10(3)13/h4-8H,1-3H3/b5-4-.
What are the key properties of 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione?
1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione has a molecular weight of 190.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione is sourced from PubChem (CID 144945000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).