(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone

C10H12O2S2 — CID 114286702

IUPAC(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone
SMILESCOc1ccsc1C(=O)C1CCSC1
InChIInChI=1S/C10H12O2S2/c1-12-8-3-5-14-10(8)9(11)7-2-4-13-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyPLXFAYONKOOWSE-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.69
Rot. Bonds3

About (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone

(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone (PubChem CID 114286702) has the molecular formula C10H12O2S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone
PubChem CID114286702
Molecular FormulaC10H12O2S2
Molecular Weight228.34 g/mol
Exact Mass228.03
IUPAC Name(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone
SMILESCOc1ccsc1C(=O)C1CCSC1
InChIInChI=1S/C10H12O2S2/c1-12-8-3-5-14-10(8)9(11)7-2-4-13-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyPLXFAYONKOOWSE-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone (CID 114286702) is (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone is COc1ccsc1C(=O)C1CCSC1.
What is the InChIKey of (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone?
The InChIKey is PLXFAYONKOOWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S2/c1-12-8-3-5-14-10(8)9(11)7-2-4-13-6-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone?
(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone has a molecular weight of 228.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 114286702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).