2-propylthiane

C8H16S — CID 528240

IUPAC2-propylthiane
SMILESCCCC1CCCCS1
InChIInChI=1S/C8H16S/c1-2-5-8-6-3-4-7-9-8/h8H,2-7H2,1H3
InChIKeyQNLNFNXMMCOGFT-UHFFFAOYSA-N
MW144.28 g/mol
LogP3.07
Rot. Bonds2

About 2-propylthiane

2-propylthiane (PubChem CID 528240) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-propylthiane.

Molecular Properties

Compound Name2-propylthiane
PubChem CID528240
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2-propylthiane
SMILESCCCC1CCCCS1
InChIInChI=1S/C8H16S/c1-2-5-8-6-3-4-7-9-8/h8H,2-7H2,1H3
InChIKeyQNLNFNXMMCOGFT-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylthiane?
The IUPAC name of 2-propylthiane (CID 528240) is 2-propylthiane.
What is the SMILES notation for 2-propylthiane?
The canonical SMILES for 2-propylthiane is CCCC1CCCCS1.
What is the InChIKey of 2-propylthiane?
The InChIKey is QNLNFNXMMCOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-2-5-8-6-3-4-7-9-8/h8H,2-7H2,1H3.
What are the key properties of 2-propylthiane?
2-propylthiane has a molecular weight of 144.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthiane is sourced from PubChem (CID 528240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).