ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene

C18H26S3 — CID 158374715

IUPACethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
SMILESCC.CC.CSc1ccc(Sc2ccc(SC)cc2)cc1
InChIInChI=1S/C14H14S3.2C2H6/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyGVAWZAKHKCHCQM-UHFFFAOYSA-N
MW338.61 g/mol
LogP7.33
Rot. Bonds4

About ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene

ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene (PubChem CID 158374715) has the molecular formula C18H26S3 and a molecular weight of 338.61 g/mol. Its IUPAC name is ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene.

Molecular Properties

Compound Nameethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
PubChem CID158374715
Molecular FormulaC18H26S3
Molecular Weight338.61 g/mol
Exact Mass338.12
IUPAC Nameethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
SMILESCC.CC.CSc1ccc(Sc2ccc(SC)cc2)cc1
InChIInChI=1S/C14H14S3.2C2H6/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyGVAWZAKHKCHCQM-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
1-methylsulfanyl-4-phenylsulfanylbenzene;4-phenylsulfanylbenzenethiol
CID 67629763
1-[(2-methylpropan-2-yl)oxy]-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
CID 101200720
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
1-methylsulfanyl-4-(trideuteriomethylsulfanyl)benzene
CID 10797313
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
The IUPAC name of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene (CID 158374715) is ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene.
What is the SMILES notation for ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
The canonical SMILES for ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene is CC.CC.CSc1ccc(Sc2ccc(SC)cc2)cc1.
What is the InChIKey of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
The InChIKey is GVAWZAKHKCHCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S3.2C2H6/c1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene?
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene has a molecular weight of 338.61 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene is sourced from PubChem (CID 158374715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).