5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one

C9H9NO2S2 — CID 10728016

IUPAC5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one
SMILESCSc1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C9H9NO2S2/c1-4-5(2)14-7-6(4)8(11)12-9(10-7)13-3/h1-3H3
InChIKeyIUWYHADHVPRDPF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.59
Rot. Bonds1

About 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one

5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one (PubChem CID 10728016) has the molecular formula C9H9NO2S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one
PubChem CID10728016
Molecular FormulaC9H9NO2S2
Molecular Weight227.31 g/mol
Exact Mass227.01
IUPAC Name5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one
SMILESCSc1nc2sc(C)c(C)c2c(=O)o1
InChIInChI=1S/C9H9NO2S2/c1-4-5(2)14-7-6(4)8(11)12-9(10-7)13-3/h1-3H3
InChIKeyIUWYHADHVPRDPF-UHFFFAOYSA-N
XLogP2.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one (CID 10728016) is 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one is CSc1nc2sc(C)c(C)c2c(=O)o1.
What is the InChIKey of 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is IUWYHADHVPRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S2/c1-4-5(2)14-7-6(4)8(11)12-9(10-7)13-3/h1-3H3.
What are the key properties of 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one?
5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 227.31 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-methylsulfanylthieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 10728016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).