(3-propylthiophen-2-yl) acetate

C9H12O2S — CID 151443720

IUPAC(3-propylthiophen-2-yl) acetate
SMILESCCCc1ccsc1OC(C)=O
InChIInChI=1S/C9H12O2S/c1-3-4-8-5-6-12-9(8)11-7(2)10/h5-6H,3-4H2,1-2H3
InChIKeyPFBBRXWUVNDYPJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.63
Rot. Bonds3

About (3-propylthiophen-2-yl) acetate

(3-propylthiophen-2-yl) acetate (PubChem CID 151443720) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is (3-propylthiophen-2-yl) acetate.

Molecular Properties

Compound Name(3-propylthiophen-2-yl) acetate
PubChem CID151443720
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name(3-propylthiophen-2-yl) acetate
SMILESCCCc1ccsc1OC(C)=O
InChIInChI=1S/C9H12O2S/c1-3-4-8-5-6-12-9(8)11-7(2)10/h5-6H,3-4H2,1-2H3
InChIKeyPFBBRXWUVNDYPJ-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propylthiophen-2-yl) acetate?
The IUPAC name of (3-propylthiophen-2-yl) acetate (CID 151443720) is (3-propylthiophen-2-yl) acetate.
What is the SMILES notation for (3-propylthiophen-2-yl) acetate?
The canonical SMILES for (3-propylthiophen-2-yl) acetate is CCCc1ccsc1OC(C)=O.
What is the InChIKey of (3-propylthiophen-2-yl) acetate?
The InChIKey is PFBBRXWUVNDYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-4-8-5-6-12-9(8)11-7(2)10/h5-6H,3-4H2,1-2H3.
What are the key properties of (3-propylthiophen-2-yl) acetate?
(3-propylthiophen-2-yl) acetate has a molecular weight of 184.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylthiophen-2-yl) acetate is sourced from PubChem (CID 151443720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).