ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane

C14H20S2 — CID 170633170

IUPACethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane
SMILESC.C=Cc1cc2sccc2cc1SC.CC
InChIInChI=1S/C11H10S2.C2H6.CH4/c1-3-8-6-11-9(4-5-13-11)7-10(8)12-2;1-2;/h3-7H,1H2,2H3;1-2H3;1H4
InChIKeyXRXUXBRNEZOVHE-UHFFFAOYSA-N
MW252.45 g/mol
LogP5.93
Rot. Bonds2

About ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane

ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane (PubChem CID 170633170) has the molecular formula C14H20S2 and a molecular weight of 252.45 g/mol. Its IUPAC name is ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane.

Molecular Properties

Compound Nameethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane
PubChem CID170633170
Molecular FormulaC14H20S2
Molecular Weight252.45 g/mol
Exact Mass252.10
IUPAC Nameethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane
SMILESC.C=Cc1cc2sccc2cc1SC.CC
InChIInChI=1S/C11H10S2.C2H6.CH4/c1-3-8-6-11-9(4-5-13-11)7-10(8)12-2;1-2;/h3-7H,1H2,2H3;1-2H3;1H4
InChIKeyXRXUXBRNEZOVHE-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane?
The IUPAC name of ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane (CID 170633170) is ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane.
What is the SMILES notation for ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane?
The canonical SMILES for ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane is C.C=Cc1cc2sccc2cc1SC.CC.
What is the InChIKey of ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane?
The InChIKey is XRXUXBRNEZOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S2.C2H6.CH4/c1-3-8-6-11-9(4-5-13-11)7-10(8)12-2;1-2;/h3-7H,1H2,2H3;1-2H3;1H4.
What are the key properties of ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane?
ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane has a molecular weight of 252.45 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-methylsulfanyl-1-benzothiophene;methane is sourced from PubChem (CID 170633170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).