2-butan-2-ylsulfanylthiophene

C8H12S2 — CID 528913

IUPAC2-butan-2-ylsulfanylthiophene
SMILESCCC(C)Sc1cccs1
InChIInChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3
InChIKeyMGLRFPVDQZHEOJ-UHFFFAOYSA-N
MW172.32 g/mol
LogP3.64
Rot. Bonds3

About 2-butan-2-ylsulfanylthiophene

2-butan-2-ylsulfanylthiophene (PubChem CID 528913) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylthiophene.

Molecular Properties

Compound Name2-butan-2-ylsulfanylthiophene
PubChem CID528913
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name2-butan-2-ylsulfanylthiophene
SMILESCCC(C)Sc1cccs1
InChIInChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3
InChIKeyMGLRFPVDQZHEOJ-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylthiophene?
The IUPAC name of 2-butan-2-ylsulfanylthiophene (CID 528913) is 2-butan-2-ylsulfanylthiophene.
What is the SMILES notation for 2-butan-2-ylsulfanylthiophene?
The canonical SMILES for 2-butan-2-ylsulfanylthiophene is CCC(C)Sc1cccs1.
What is the InChIKey of 2-butan-2-ylsulfanylthiophene?
The InChIKey is MGLRFPVDQZHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2/c1-3-7(2)10-8-5-4-6-9-8/h4-7H,3H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanylthiophene?
2-butan-2-ylsulfanylthiophene has a molecular weight of 172.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylthiophene is sourced from PubChem (CID 528913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).