1-ethyl-2-(2-ethylphenyl)sulfanylbenzene

C16H18S — CID 19792412

IUPAC1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
SMILESCCc1ccccc1Sc1ccccc1CC
InChIInChI=1S/C16H18S/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChIKeyOGCNSPNRVQDSNZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.96
Rot. Bonds4

About 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene

1-ethyl-2-(2-ethylphenyl)sulfanylbenzene (PubChem CID 19792412) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
PubChem CID19792412
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
SMILESCCc1ccccc1Sc1ccccc1CC
InChIInChI=1S/C16H18S/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3
InChIKeyOGCNSPNRVQDSNZ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
CID 18000111
1-bromo-4-(2-ethylphenyl)sulfanylbenzene;ethane
CID 143619188
1-ethyl-3-(3-ethyl-2-fluorophenyl)sulfanyl-2-fluorobenzene
CID 66729762
1-cyclohexa-1,3-dien-1-ylsulfanyl-2-ethylbenzene
CID 144519168
3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
CID 90957082
1,2-diethylbenzene;hydrobromide
CID 174973685
1-ethyl-2-[ethyl-(2-ethylphenyl)sulfanylphosphoryl]sulfanylbenzene
CID 23617316
4-bromo-3-(2-ethylphenyl)sulfanyl-1H-indole
CID 91609343
(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 87853976
nickel;1-octyl-2-(2-octylphenyl)sulfanylbenzene
CID 87071455
2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
CID 57200216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene?
The IUPAC name of 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene (CID 19792412) is 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene?
The canonical SMILES for 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene is CCc1ccccc1Sc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene?
The InChIKey is OGCNSPNRVQDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-3-13-9-5-7-11-15(13)17-16-12-8-6-10-14(16)4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene?
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene has a molecular weight of 242.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-ethylphenyl)sulfanylbenzene is sourced from PubChem (CID 19792412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).