2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide

C8H11NOS2 — CID 21300248

IUPAC2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide
SMILESCN1S(=O)c2cscc2C1(C)C
InChIInChI=1S/C8H11NOS2/c1-8(2)6-4-11-5-7(6)12(10)9(8)3/h4-5H,1-3H3
InChIKeyDFSAESSTSPCPJV-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.95
Rot. Bonds

About 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide

2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide (PubChem CID 21300248) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide.

Molecular Properties

Compound Name2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide
PubChem CID21300248
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide
SMILESCN1S(=O)c2cscc2C1(C)C
InChIInChI=1S/C8H11NOS2/c1-8(2)6-4-11-5-7(6)12(10)9(8)3/h4-5H,1-3H3
InChIKeyDFSAESSTSPCPJV-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide?
The IUPAC name of 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide (CID 21300248) is 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide.
What is the SMILES notation for 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide?
The canonical SMILES for 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide is CN1S(=O)c2cscc2C1(C)C.
What is the InChIKey of 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide?
The InChIKey is DFSAESSTSPCPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-8(2)6-4-11-5-7(6)12(10)9(8)3/h4-5H,1-3H3.
What are the key properties of 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide?
2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide has a molecular weight of 201.32 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylthieno[3,4-d][1,2]thiazole 1-oxide is sourced from PubChem (CID 21300248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).