1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene

C32H50S3 — CID 139623520

IUPAC1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene
SMILESCCSc1c(CC)c(CC)c(Sc2c(CC)c(CC)c(SCC)c(CC)c2CC)c(CC)c1CC
InChIInChI=1S/C32H50S3/c1-11-21-25(15-5)31(26(16-6)22(12-2)29(21)33-19-9)35-32-27(17-7)23(13-3)30(34-20-10)24(14-4)28(32)18-8/h11-20H2,1-10H3
InChIKeyUCSUMMCSTOFMPO-UHFFFAOYSA-N
MW530.95 g/mol
LogP10.56
Rot. Bonds14

About 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene

1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene (PubChem CID 139623520) has the molecular formula C32H50S3 and a molecular weight of 530.95 g/mol. Its IUPAC name is 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene
PubChem CID139623520
Molecular FormulaC32H50S3
Molecular Weight530.95 g/mol
Exact Mass530.31
IUPAC Name1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene
SMILESCCSc1c(CC)c(CC)c(Sc2c(CC)c(CC)c(SCC)c(CC)c2CC)c(CC)c1CC
InChIInChI=1S/C32H50S3/c1-11-21-25(15-5)31(26(16-6)22(12-2)29(21)33-19-9)35-32-27(17-7)23(13-3)30(34-20-10)24(14-4)28(32)18-8/h11-20H2,1-10H3
InChIKeyUCSUMMCSTOFMPO-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.95
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene?
The IUPAC name of 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene (CID 139623520) is 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene.
What is the SMILES notation for 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene?
The canonical SMILES for 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene is CCSc1c(CC)c(CC)c(Sc2c(CC)c(CC)c(SCC)c(CC)c2CC)c(CC)c1CC.
What is the InChIKey of 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene?
The InChIKey is UCSUMMCSTOFMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50S3/c1-11-21-25(15-5)31(26(16-6)22(12-2)29(21)33-19-9)35-32-27(17-7)23(13-3)30(34-20-10)24(14-4)28(32)18-8/h11-20H2,1-10H3.
What are the key properties of 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene?
1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene has a molecular weight of 530.95 g/mol, XLogP of 10.56, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetraethyl-3-ethylsulfanyl-6-(2,3,5,6-tetraethyl-4-ethylsulfanylphenyl)sulfanylbenzene is sourced from PubChem (CID 139623520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).