3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene

C8H10OS3 — CID 19600112

IUPAC3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene
SMILESCS/C(=C\c1ccsc1)S(C)=O
InChIInChI=1S/C8H10OS3/c1-10-8(12(2)9)5-7-3-4-11-6-7/h3-6H,1-2H3/b8-5+
InChIKeyYDFODRFLBUHVFZ-VMPITWQZSA-N
MW218.37 g/mol
LogP2.79
Rot. Bonds3

About 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene

3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene (PubChem CID 19600112) has the molecular formula C8H10OS3 and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene.

Molecular Properties

Compound Name3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene
PubChem CID19600112
Molecular FormulaC8H10OS3
Molecular Weight218.37 g/mol
Exact Mass217.99
IUPAC Name3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene
SMILESCS/C(=C\c1ccsc1)S(C)=O
InChIInChI=1S/C8H10OS3/c1-10-8(12(2)9)5-7-3-4-11-6-7/h3-6H,1-2H3/b8-5+
InChIKeyYDFODRFLBUHVFZ-VMPITWQZSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene?
The IUPAC name of 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene (CID 19600112) is 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene.
What is the SMILES notation for 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene?
The canonical SMILES for 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene is CS/C(=C\c1ccsc1)S(C)=O.
What is the InChIKey of 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene?
The InChIKey is YDFODRFLBUHVFZ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H10OS3/c1-10-8(12(2)9)5-7-3-4-11-6-7/h3-6H,1-2H3/b8-5+.
What are the key properties of 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene?
3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene has a molecular weight of 218.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methylsulfanyl-2-methylsulfinylethenyl]thiophene is sourced from PubChem (CID 19600112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).