2-methylsulfanyl-3-propyl-2,3-dihydrothiophene

C8H14S2 — CID 57251441

IUPAC2-methylsulfanyl-3-propyl-2,3-dihydrothiophene
SMILESCCCC1C=CSC1SC
InChIInChI=1S/C8H14S2/c1-3-4-7-5-6-10-8(7)9-2/h5-8H,3-4H2,1-2H3
InChIKeyIWOPDSGSSVNLFS-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.35
Rot. Bonds3

About 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene

2-methylsulfanyl-3-propyl-2,3-dihydrothiophene (PubChem CID 57251441) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-methylsulfanyl-3-propyl-2,3-dihydrothiophene
PubChem CID57251441
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-methylsulfanyl-3-propyl-2,3-dihydrothiophene
SMILESCCCC1C=CSC1SC
InChIInChI=1S/C8H14S2/c1-3-4-7-5-6-10-8(7)9-2/h5-8H,3-4H2,1-2H3
InChIKeyIWOPDSGSSVNLFS-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene?
The IUPAC name of 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene (CID 57251441) is 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene?
The canonical SMILES for 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene is CCCC1C=CSC1SC.
What is the InChIKey of 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene?
The InChIKey is IWOPDSGSSVNLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-4-7-5-6-10-8(7)9-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene?
2-methylsulfanyl-3-propyl-2,3-dihydrothiophene has a molecular weight of 174.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-propyl-2,3-dihydrothiophene is sourced from PubChem (CID 57251441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).