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

C18H26S2 — CID 143577780

IUPACethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
SMILESCC.CC.CSc1ccc(-c2ccc(SC)cc2)cc1
InChIInChI=1S/C14H14S2.2C2H6/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyJIWWKJSHCSWIBV-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.85
Rot. Bonds3

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

ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene (PubChem CID 143577780) has the molecular formula C18H26S2 and a molecular weight of 306.54 g/mol. Its IUPAC name is ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Nameethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
PubChem CID143577780
Molecular FormulaC18H26S2
Molecular Weight306.54 g/mol
Exact Mass306.15
IUPAC Nameethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
SMILESCC.CC.CSc1ccc(-c2ccc(SC)cc2)cc1
InChIInChI=1S/C14H14S2.2C2H6/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyJIWWKJSHCSWIBV-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Captodiame
CID 10240
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Methiochlor
CID 29738
Disulfide, bis(4-methylphenyl)
CID 66027
Benzyl phenyl sulfide
CID 13255
4,4'-Bis-methylsulfanyl-biphenyl
CID 618859
Mecaptid
CID 168679
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Benzene, 1-methyl-4-(phenylthio)-
CID 138011

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene?
The IUPAC name of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene (CID 143577780) is ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene.
What is the SMILES notation for ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene?
The canonical SMILES for ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene is CC.CC.CSc1ccc(-c2ccc(SC)cc2)cc1.
What is the InChIKey of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene?
The InChIKey is JIWWKJSHCSWIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2.2C2H6/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene?
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene has a molecular weight of 306.54 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene is sourced from PubChem (CID 143577780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).