2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene

C20H26S3 — CID 139623506

IUPAC2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene
SMILESCCCSc1ccc(Sc2ccc(SCCC)cc2C)c(C)c1
InChIInChI=1S/C20H26S3/c1-5-11-21-17-7-9-19(15(3)13-17)23-20-10-8-18(14-16(20)4)22-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyRYARRZDJQHNODN-UHFFFAOYSA-N
MW362.63 g/mol
LogP7.46
Rot. Bonds8

About 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene

2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene (PubChem CID 139623506) has the molecular formula C20H26S3 and a molecular weight of 362.63 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene
PubChem CID139623506
Molecular FormulaC20H26S3
Molecular Weight362.63 g/mol
Exact Mass362.12
IUPAC Name2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene
SMILESCCCSc1ccc(Sc2ccc(SCCC)cc2C)c(C)c1
InChIInChI=1S/C20H26S3/c1-5-11-21-17-7-9-19(15(3)13-17)23-20-10-8-18(14-16(20)4)22-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyRYARRZDJQHNODN-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Phenyl styryl sulfide
CID 611297
p-Bis((phenylthio)methyl)benzene
CID 611565
4,4'-Bis(ethylthio)biphenyl
CID 4026825
Butanal dibenzyl thioacetal
CID 71587383
Dibenzo[b,f]thiepin
CID 136074
Naphthalene, 1,4-bis(methylthio)-
CID 139089
Benzene, 1-methyl-3-(phenylthio)-
CID 139633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene?
The IUPAC name of 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene (CID 139623506) is 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene.
What is the SMILES notation for 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene?
The canonical SMILES for 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene is CCCSc1ccc(Sc2ccc(SCCC)cc2C)c(C)c1.
What is the InChIKey of 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene?
The InChIKey is RYARRZDJQHNODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S3/c1-5-11-21-17-7-9-19(15(3)13-17)23-20-10-8-18(14-16(20)4)22-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene?
2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene has a molecular weight of 362.63 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-4-propylsulfanylphenyl)sulfanyl-4-propylsulfanylbenzene is sourced from PubChem (CID 139623506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).