2-methylsulfanyl-5-propan-2-ylthiophene

C8H12S2 — CID 22087709

IUPAC2-methylsulfanyl-5-propan-2-ylthiophene
SMILESCSc1ccc(C(C)C)s1
InChIInChI=1S/C8H12S2/c1-6(2)7-4-5-8(9-3)10-7/h4-6H,1-3H3
InChIKeyKKNWHTWUVPHONC-UHFFFAOYSA-N
MW172.32 g/mol
LogP3.59
Rot. Bonds2

About 2-methylsulfanyl-5-propan-2-ylthiophene

2-methylsulfanyl-5-propan-2-ylthiophene (PubChem CID 22087709) has the molecular formula C8H12S2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-methylsulfanyl-5-propan-2-ylthiophene.

Molecular Properties

Compound Name2-methylsulfanyl-5-propan-2-ylthiophene
PubChem CID22087709
Molecular FormulaC8H12S2
Molecular Weight172.32 g/mol
Exact Mass172.04
IUPAC Name2-methylsulfanyl-5-propan-2-ylthiophene
SMILESCSc1ccc(C(C)C)s1
InChIInChI=1S/C8H12S2/c1-6(2)7-4-5-8(9-3)10-7/h4-6H,1-3H3
InChIKeyKKNWHTWUVPHONC-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-propan-2-ylthiophene?
The IUPAC name of 2-methylsulfanyl-5-propan-2-ylthiophene (CID 22087709) is 2-methylsulfanyl-5-propan-2-ylthiophene.
What is the SMILES notation for 2-methylsulfanyl-5-propan-2-ylthiophene?
The canonical SMILES for 2-methylsulfanyl-5-propan-2-ylthiophene is CSc1ccc(C(C)C)s1.
What is the InChIKey of 2-methylsulfanyl-5-propan-2-ylthiophene?
The InChIKey is KKNWHTWUVPHONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S2/c1-6(2)7-4-5-8(9-3)10-7/h4-6H,1-3H3.
What are the key properties of 2-methylsulfanyl-5-propan-2-ylthiophene?
2-methylsulfanyl-5-propan-2-ylthiophene has a molecular weight of 172.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-propan-2-ylthiophene is sourced from PubChem (CID 22087709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).