1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene

C24H22S2 — CID 121386952

IUPAC1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESC=C(c1ccc(SC)cc1)c1cccc(C(=C)c2ccc(SC)cc2)c1
InChIInChI=1S/C24H22S2/c1-17(19-8-12-23(25-3)13-9-19)21-6-5-7-22(16-21)18(2)20-10-14-24(26-4)15-11-20/h5-16H,1-2H2,3-4H3
InChIKeyTUELTVACKDEUST-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.25
Rot. Bonds6

About 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene

1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene (PubChem CID 121386952) has the molecular formula C24H22S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene
PubChem CID121386952
Molecular FormulaC24H22S2
Molecular Weight374.57 g/mol
Exact Mass374.12
IUPAC Name1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene
SMILESC=C(c1ccc(SC)cc1)c1cccc(C(=C)c2ccc(SC)cc2)c1
InChIInChI=1S/C24H22S2/c1-17(19-8-12-23(25-3)13-9-19)21-6-5-7-22(16-21)18(2)20-10-14-24(26-4)15-11-20/h5-16H,1-2H2,3-4H3
InChIKeyTUELTVACKDEUST-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-ethylsulfanyl-4-[(Z)-1-[3-[(E)-1-(4-methylsulfanylphenyl)prop-1-enyl]phenyl]prop-1-enyl]benzene
CID 121386954
2-methylidene-3-(4-methylsulfanylphenyl)but-3-en-1-ol
CID 88544407
(E)-3-(4-methylsulfanylphenyl)-1-[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 5379882
ethane;4-(1-phenylethenyl)benzene-1,2-diamine
CID 54049505
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
benzoyl 4-methylsulfanylbenzoate
CID 88817046
4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline
CID 121386942
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine
CID 163786268
1-phenylethenylbenzene;hydrochloride
CID 70400725
hydrogen peroxide;methylsulfanylbenzene
CID 87661079

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene (CID 121386952) is 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene is C=C(c1ccc(SC)cc1)c1cccc(C(=C)c2ccc(SC)cc2)c1.
What is the InChIKey of 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene?
The InChIKey is TUELTVACKDEUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22S2/c1-17(19-8-12-23(25-3)13-9-19)21-6-5-7-22(16-21)18(2)20-10-14-24(26-4)15-11-20/h5-16H,1-2H2,3-4H3.
What are the key properties of 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene?
1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene has a molecular weight of 374.57 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene is sourced from PubChem (CID 121386952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).