1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene

C15H14S — CID 6082395

IUPAC1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESCc1ccc(S/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14S/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
InChIKeyMHZVOYOCVAJCBP-VAWYXSNFSA-N
MW226.34 g/mol
LogP4.76
Rot. Bonds3

About 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene

1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene (PubChem CID 6082395) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene
PubChem CID6082395
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESCc1ccc(S/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14S/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+
InChIKeyMHZVOYOCVAJCBP-VAWYXSNFSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(Z)-2-phenylethenyl]sulfanylphenyl]acetamide
CID 73053859
(4-methylphenyl)sulfanyl-[(E)-2-phenylethenyl]sulfanylmethanethione
CID 10685805
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
1-methyl-4-[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
CID 135039325
1-[4-[(E)-2-phenylsulfanylethenyl]phenyl]ethanone
CID 101423870
[(Z)-2-[(E)-2-phenylethenyl]sulfanylethenyl]benzene
CID 11276469
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
CID 143261626
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-triphenylphosphanium
CID 58231993
2-phenylethenyl thiohypofluorite
CID 175755686
2-[(E)-2-(4-methylphenyl)ethenyl]sulfanyl-1,3-benzothiazole
CID 6296621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The IUPAC name of 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene (CID 6082395) is 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene is Cc1ccc(S/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The InChIKey is MHZVOYOCVAJCBP-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H14S/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+.
What are the key properties of 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene?
1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene has a molecular weight of 226.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 6082395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).