2-(2-methylpropylsulfanyl)thiophene

C8H12S2 — CID 528914

IUPAC2-(2-methylpropylsulfanyl)thiophene
SMILESCC(C)CSc1cccs1
InChIInChI=1S/C8H12S2/c1-7(2)6-10-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
InChIKeyJZNYNFIKHPANKO-UHFFFAOYSA-N
MW172.32 g/mol
LogP3.50
Rot. Bonds3

About 2-(2-methylpropylsulfanyl)thiophene

2-(2-methylpropylsulfanyl)thiophene (PubChem CID 528914) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)thiophene
PubChem CID528914
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name2-(2-methylpropylsulfanyl)thiophene
SMILESCC(C)CSc1cccs1
InChIInChI=1S/C8H12S2/c1-7(2)6-10-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
InChIKeyJZNYNFIKHPANKO-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)thiophene?
The IUPAC name of 2-(2-methylpropylsulfanyl)thiophene (CID 528914) is 2-(2-methylpropylsulfanyl)thiophene.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)thiophene?
The canonical SMILES for 2-(2-methylpropylsulfanyl)thiophene is CC(C)CSc1cccs1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)thiophene?
The InChIKey is JZNYNFIKHPANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2/c1-7(2)6-10-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)thiophene?
2-(2-methylpropylsulfanyl)thiophene has a molecular weight of 172.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)thiophene is sourced from PubChem (CID 528914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).