2-butylthiirene

C6H10S — CID 139932212

IUPAC2-butylthiirene
SMILESCCCCC1=CS1
InChIInChI=1S/C6H10S/c1-2-3-4-6-5-7-6/h5H,2-4H2,1H3
InChIKeyHAMXHWHIFAOLIA-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.76
Rot. Bonds3

About 2-butylthiirene

2-butylthiirene (PubChem CID 139932212) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-butylthiirene.

Molecular Properties

Compound Name2-butylthiirene
PubChem CID139932212
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-butylthiirene
SMILESCCCCC1=CS1
InChIInChI=1S/C6H10S/c1-2-3-4-6-5-7-6/h5H,2-4H2,1H3
InChIKeyHAMXHWHIFAOLIA-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butylthiirene?
The IUPAC name of 2-butylthiirene (CID 139932212) is 2-butylthiirene.
What is the SMILES notation for 2-butylthiirene?
The canonical SMILES for 2-butylthiirene is CCCCC1=CS1.
What is the InChIKey of 2-butylthiirene?
The InChIKey is HAMXHWHIFAOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-2-3-4-6-5-7-6/h5H,2-4H2,1H3.
What are the key properties of 2-butylthiirene?
2-butylthiirene has a molecular weight of 114.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylthiirene is sourced from PubChem (CID 139932212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).