1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene

C22H26S3 — CID 139961966

IUPAC1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene
SMILESC=CSc1ccc(Sc2ccc(SC=C)c(CCC)c2)cc1CCC
InChIInChI=1S/C22H26S3/c1-5-9-17-15-19(11-13-21(17)23-7-3)25-20-12-14-22(24-8-4)18(16-20)10-6-2/h7-8,11-16H,3-6,9-10H2,1-2H3
InChIKeyWTNATDMNTAGWMA-UHFFFAOYSA-N
MW386.65 g/mol
LogP8.21
Rot. Bonds10

About 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene

1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene (PubChem CID 139961966) has the molecular formula C22H26S3 and a molecular weight of 386.65 g/mol. Its IUPAC name is 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene.

Molecular Properties

Compound Name1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene
PubChem CID139961966
Molecular FormulaC22H26S3
Molecular Weight386.65 g/mol
Exact Mass386.12
IUPAC Name1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene
SMILESC=CSc1ccc(Sc2ccc(SC=C)c(CCC)c2)cc1CCC
InChIInChI=1S/C22H26S3/c1-5-9-17-15-19(11-13-21(17)23-7-3)25-20-12-14-22(24-8-4)18(16-20)10-6-2/h7-8,11-16H,3-6,9-10H2,1-2H3
InChIKeyWTNATDMNTAGWMA-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene?
The IUPAC name of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene (CID 139961966) is 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene.
What is the SMILES notation for 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene?
The canonical SMILES for 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene is C=CSc1ccc(Sc2ccc(SC=C)c(CCC)c2)cc1CCC.
What is the InChIKey of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene?
The InChIKey is WTNATDMNTAGWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26S3/c1-5-9-17-15-19(11-13-21(17)23-7-3)25-20-12-14-22(24-8-4)18(16-20)10-6-2/h7-8,11-16H,3-6,9-10H2,1-2H3.
What are the key properties of 1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene?
1-ethenylsulfanyl-4-(4-ethenylsulfanyl-3-propylphenyl)sulfanyl-2-propylbenzene has a molecular weight of 386.65 g/mol, XLogP of 8.21, 10 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-propylphenyl)sulfanyl-2-propylbenzene is sourced from PubChem (CID 139961966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).