1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene

C24H22S2 — CID 14745002

IUPAC1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
SMILESC=Cc1ccc(CSc2ccc(SCc3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C24H22S2/c1-3-19-5-9-21(10-6-19)17-25-23-13-15-24(16-14-23)26-18-22-11-7-20(4-2)8-12-22/h3-16H,1-2,17-18H2
InChIKeyALOOCQPRXCDEJD-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.56
Rot. Bonds8

About 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene

1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene (PubChem CID 14745002) has the molecular formula C24H22S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
PubChem CID14745002
Molecular FormulaC24H22S2
Molecular Weight374.57 g/mol
Exact Mass374.12
IUPAC Name1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
SMILESC=Cc1ccc(CSc2ccc(SCc3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C24H22S2/c1-3-19-5-9-21(10-6-19)17-25-23-13-15-24(16-14-23)26-18-22-11-7-20(4-2)8-12-22/h3-16H,1-2,17-18H2
InChIKeyALOOCQPRXCDEJD-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
CID 140963022
2-[(4-ethenylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 70643926
1-ethenyl-4-(ethoxysulfanylmethyl)benzene
CID 175319601
4-[(4-formylphenyl)sulfanylmethyl]benzoic acid
CID 113384661
1-ethenyl-4-[(4-ethenylphenyl)trisulfanyl]benzene
CID 141234913
(4-ethenylphenyl)methylazanium
CID 86307073
N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-[4-[(4-ethylphenyl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine
CID 153277334
2-[(4-ethenylphenyl)methylsulfanyl]-N,N-dimethylethanamine
CID 90254503
1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene
CID 58571549
1-(chloromethyl)-4-ethenylbenzene;phosphane
CID 87786462

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
The IUPAC name of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene (CID 14745002) is 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
The canonical SMILES for 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene is C=Cc1ccc(CSc2ccc(SCc3ccc(C=C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
The InChIKey is ALOOCQPRXCDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22S2/c1-3-19-5-9-21(10-6-19)17-25-23-13-15-24(16-14-23)26-18-22-11-7-20(4-2)8-12-22/h3-16H,1-2,17-18H2.
What are the key properties of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene has a molecular weight of 374.57 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene is sourced from PubChem (CID 14745002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).