1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene

C22H19ClS2 — CID 135021916

IUPAC1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene
SMILESClc1ccc(C=C(SCc2ccccc2)SCc2ccccc2)cc1
InChIInChI=1S/C22H19ClS2/c23-21-13-11-18(12-14-21)15-22(24-16-19-7-3-1-4-8-19)25-17-20-9-5-2-6-10-20/h1-15H,16-17H2
InChIKeyWCDKYODSIXMLRM-UHFFFAOYSA-N
MW382.98 g/mol
LogP7.51
Rot. Bonds7

About 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene

1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene (PubChem CID 135021916) has the molecular formula C22H19ClS2 and a molecular weight of 382.98 g/mol. Its IUPAC name is 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene
PubChem CID135021916
Molecular FormulaC22H19ClS2
Molecular Weight382.98 g/mol
Exact Mass382.06
IUPAC Name1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene
SMILESClc1ccc(C=C(SCc2ccccc2)SCc2ccccc2)cc1
InChIInChI=1S/C22H19ClS2/c23-21-13-11-18(12-14-21)15-22(24-16-19-7-3-1-4-8-19)25-17-20-9-5-2-6-10-20/h1-15H,16-17H2
InChIKeyWCDKYODSIXMLRM-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.98
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(4-chlorophenyl)prop-2-enal
CID 134235556
methyl (Z)-2-benzyl-3-(4-chlorophenyl)prop-2-enoate
CID 134980752
[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
CID 11438560
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
1-(4-bromophenyl)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]prop-2-en-1-one
CID 68539868
1-chloro-4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]sulfanylbenzene
CID 56956432
S-[(4-chlorophenyl)methyl] chloromethanethioate
CID 57244633
(Z)-2-[(benzylamino)methyl]-3-(4-chlorophenyl)prop-2-enenitrile
CID 132557430
[(Z)-2-benzylsulfanyloct-1-enyl]benzene
CID 11358816
[[(E)-2-(4-chlorophenyl)-1-fluoroethenyl]-diphenylphosphaniumyl]boranuide
CID 139187383
4-[2-[(4-chlorophenyl)methylsulfanyl]-3-[4-(dimethylamino)phenyl]prop-2-enoyl]benzoic acid
CID 68542746
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene?
The IUPAC name of 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene (CID 135021916) is 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene is Clc1ccc(C=C(SCc2ccccc2)SCc2ccccc2)cc1.
What is the InChIKey of 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene?
The InChIKey is WCDKYODSIXMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClS2/c23-21-13-11-18(12-14-21)15-22(24-16-19-7-3-1-4-8-19)25-17-20-9-5-2-6-10-20/h1-15H,16-17H2.
What are the key properties of 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene?
1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene has a molecular weight of 382.98 g/mol, XLogP of 7.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene is sourced from PubChem (CID 135021916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).