2-(thiiran-2-ylmethyl)thiophene

C7H8S2 — CID 174452865

IUPAC2-(thiiran-2-ylmethyl)thiophene
SMILESc1csc(CC2CS2)c1
InChIInChI=1S/C7H8S2/c1-2-6(8-3-1)4-7-5-9-7/h1-3,7H,4-5H2
InChIKeySIKKYNZPSCVDMU-UHFFFAOYSA-N
MW156.28 g/mol
LogP2.41
Rot. Bonds2

About 2-(thiiran-2-ylmethyl)thiophene

2-(thiiran-2-ylmethyl)thiophene (PubChem CID 174452865) has the molecular formula C7H8S2 and a molecular weight of 156.28 g/mol. Its IUPAC name is 2-(thiiran-2-ylmethyl)thiophene.

Molecular Properties

Compound Name2-(thiiran-2-ylmethyl)thiophene
PubChem CID174452865
Molecular FormulaC7H8S2
Molecular Weight156.28 g/mol
Exact Mass156.01
IUPAC Name2-(thiiran-2-ylmethyl)thiophene
SMILESc1csc(CC2CS2)c1
InChIInChI=1S/C7H8S2/c1-2-6(8-3-1)4-7-5-9-7/h1-3,7H,4-5H2
InChIKeySIKKYNZPSCVDMU-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(thiiran-2-ylmethyl)thiophene?
The IUPAC name of 2-(thiiran-2-ylmethyl)thiophene (CID 174452865) is 2-(thiiran-2-ylmethyl)thiophene.
What is the SMILES notation for 2-(thiiran-2-ylmethyl)thiophene?
The canonical SMILES for 2-(thiiran-2-ylmethyl)thiophene is c1csc(CC2CS2)c1.
What is the InChIKey of 2-(thiiran-2-ylmethyl)thiophene?
The InChIKey is SIKKYNZPSCVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S2/c1-2-6(8-3-1)4-7-5-9-7/h1-3,7H,4-5H2.
What are the key properties of 2-(thiiran-2-ylmethyl)thiophene?
2-(thiiran-2-ylmethyl)thiophene has a molecular weight of 156.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiiran-2-ylmethyl)thiophene is sourced from PubChem (CID 174452865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).