1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene

C20H22S3 — CID 139961968

IUPAC1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene
SMILESC=CSc1ccc(Sc2ccc(SC=C)c(CC)c2)cc1CC
InChIInChI=1S/C20H22S3/c1-5-15-13-17(9-11-19(15)21-7-3)23-18-10-12-20(22-8-4)16(6-2)14-18/h7-14H,3-6H2,1-2H3
InChIKeyPYLXEGNTNDDSQN-UHFFFAOYSA-N
MW358.60 g/mol
LogP7.43
Rot. Bonds8

About 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene

1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene (PubChem CID 139961968) has the molecular formula C20H22S3 and a molecular weight of 358.60 g/mol. Its IUPAC name is 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene.

Molecular Properties

Compound Name1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene
PubChem CID139961968
Molecular FormulaC20H22S3
Molecular Weight358.60 g/mol
Exact Mass358.09
IUPAC Name1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene
SMILESC=CSc1ccc(Sc2ccc(SC=C)c(CC)c2)cc1CC
InChIInChI=1S/C20H22S3/c1-5-15-13-17(9-11-19(15)21-7-3)23-18-10-12-20(22-8-4)16(6-2)14-18/h7-14H,3-6H2,1-2H3
InChIKeyPYLXEGNTNDDSQN-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene
CID 139961966
1-ethenylsulfanyl-4-(4-propan-2-ylsulfanylphenyl)sulfanylbenzene
CID 163666912
4-(4-bromophenyl)sulfanyl-2-ethylaniline
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CID 91877189
4-(2,4-diethylphenyl)sulfanylphenol
CID 91879872
1,2-diethyl-4-(4-nitrophenyl)sulfanylbenzene
CID 91879901
5-tert-butyl-2-ethenylsulfanylaniline
CID 155118550
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
2-[5-(4-bromophenyl)sulfanyl-2-ethylphenyl]acetic acid
CID 91877682
1-[2-methyl-4-[3-methyl-4-(1-prop-2-enoyloxybutylsulfanyl)phenyl]sulfanylphenyl]sulfanylbutyl prop-2-enoate
CID 176691624
4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
CID 139631748
1,3,6-tris(ethenylsulfanyl)naphthalene
CID 171774524

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene?
The IUPAC name of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene (CID 139961968) is 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene.
What is the SMILES notation for 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene?
The canonical SMILES for 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene is C=CSc1ccc(Sc2ccc(SC=C)c(CC)c2)cc1CC.
What is the InChIKey of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene?
The InChIKey is PYLXEGNTNDDSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22S3/c1-5-15-13-17(9-11-19(15)21-7-3)23-18-10-12-20(22-8-4)16(6-2)14-18/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene?
1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene has a molecular weight of 358.60 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-ethylphenyl)sulfanyl-2-ethylbenzene is sourced from PubChem (CID 139961968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).