1,4-bis(2-methylsulfanylethylsulfanyl)benzene

C12H18S4 — CID 22897584

IUPAC1,4-bis(2-methylsulfanylethylsulfanyl)benzene
SMILESCSCCSc1ccc(SCCSC)cc1
InChIInChI=1S/C12H18S4/c1-13-7-9-15-11-3-5-12(6-4-11)16-10-8-14-2/h3-6H,7-10H2,1-2H3
InChIKeyGMIOBZHEAYXJRM-UHFFFAOYSA-N
MW290.54 g/mol
LogP4.60
Rot. Bonds8

About 1,4-bis(2-methylsulfanylethylsulfanyl)benzene

1,4-bis(2-methylsulfanylethylsulfanyl)benzene (PubChem CID 22897584) has the molecular formula C12H18S4 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1,4-bis(2-methylsulfanylethylsulfanyl)benzene.

Molecular Properties

Compound Name1,4-bis(2-methylsulfanylethylsulfanyl)benzene
PubChem CID22897584
Molecular FormulaC12H18S4
Molecular Weight290.54 g/mol
Exact Mass290.03
IUPAC Name1,4-bis(2-methylsulfanylethylsulfanyl)benzene
SMILESCSCCSc1ccc(SCCSC)cc1
InChIInChI=1S/C12H18S4/c1-13-7-9-15-11-3-5-12(6-4-11)16-10-8-14-2/h3-6H,7-10H2,1-2H3
InChIKeyGMIOBZHEAYXJRM-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(2-methylsulfanylethylsulfanyl)benzene
CID 174193646
1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251
1-dodecylsulfanyl-4-methylsulfanylbenzene
CID 146260586
4-pentylsulfanylbenzenethiol
CID 69215525
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
3-methylsulfanyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60669246
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651
1-bromo-4-propylsulfanylbenzene;hydrofluoride
CID 174332462
1-tert-butyl-4-propylsulfanylbenzene
CID 86200196
1-propylsulfanyl-4-(4-propylsulfanylphenoxy)benzene
CID 3090414
trimethyl-[3-[4-[3-(trimethylazaniumyl)propylsulfanyl]phenyl]sulfanylpropyl]azanium diiodide
CID 19907363

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-methylsulfanylethylsulfanyl)benzene?
The IUPAC name of 1,4-bis(2-methylsulfanylethylsulfanyl)benzene (CID 22897584) is 1,4-bis(2-methylsulfanylethylsulfanyl)benzene.
What is the SMILES notation for 1,4-bis(2-methylsulfanylethylsulfanyl)benzene?
The canonical SMILES for 1,4-bis(2-methylsulfanylethylsulfanyl)benzene is CSCCSc1ccc(SCCSC)cc1.
What is the InChIKey of 1,4-bis(2-methylsulfanylethylsulfanyl)benzene?
The InChIKey is GMIOBZHEAYXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S4/c1-13-7-9-15-11-3-5-12(6-4-11)16-10-8-14-2/h3-6H,7-10H2,1-2H3.
What are the key properties of 1,4-bis(2-methylsulfanylethylsulfanyl)benzene?
1,4-bis(2-methylsulfanylethylsulfanyl)benzene has a molecular weight of 290.54 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-methylsulfanylethylsulfanyl)benzene is sourced from PubChem (CID 22897584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).