3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium

C10H14NS2+ — CID 947996

IUPAC3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium
SMILESCC[n+]1c(C)sc2c(C)c(C)sc21
InChIInChI=1S/C10H14NS2/c1-5-11-8(4)13-9-6(2)7(3)12-10(9)11/h5H2,1-4H3/q+1
InChIKeyMSKYONQDDILTOO-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.20
Rot. Bonds1

About 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium

3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium (PubChem CID 947996) has the molecular formula C10H14NS2+ and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium.

Molecular Properties

Compound Name3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium
PubChem CID947996
Molecular FormulaC10H14NS2+
Molecular Weight212.36 g/mol
Exact Mass212.06
IUPAC Name3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium
SMILESCC[n+]1c(C)sc2c(C)c(C)sc21
InChIInChI=1S/C10H14NS2/c1-5-11-8(4)13-9-6(2)7(3)12-10(9)11/h5H2,1-4H3/q+1
InChIKeyMSKYONQDDILTOO-UHFFFAOYSA-N
XLogP3.20
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium chloride
CID 163329939
3-ethyl-2-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-3-ium
CID 793046
3-ethyl-2-methyl-5-phenylthieno[2,3-d][1,3]thiazol-3-ium iodide
CID 13216392
1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium
CID 162291945
1-ethyl-2-methylthieno[3,2-d][1,3]thiazol-1-ium
CID 13216386
2,3,4,5-tetramethylthiophene
CID 162080525
1-ethyl-2-methyl-4H-[1,3]thiazolo[5,4-b]indol-1-ium iodide
CID 126467920
ethane;2,3,4,5-tetramethylthiophene
CID 90998829
bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane
CID 132942760
3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride
CID 160819911
1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
CID 159545939
5-(4,5-dimethylthiophen-2-yl)-2,3-dimethylthieno[3,2-b]thiophene
CID 164971489

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium?
The IUPAC name of 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium (CID 947996) is 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium.
What is the SMILES notation for 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium?
The canonical SMILES for 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium is CC[n+]1c(C)sc2c(C)c(C)sc21.
What is the InChIKey of 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium?
The InChIKey is MSKYONQDDILTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NS2/c1-5-11-8(4)13-9-6(2)7(3)12-10(9)11/h5H2,1-4H3/q+1.
What are the key properties of 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium?
3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium has a molecular weight of 212.36 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium is sourced from PubChem (CID 947996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).