1-methylsulfonyl-4-thiophen-3-yltriazole

C7H7N3O2S2 — CID 135083839

IUPAC1-methylsulfonyl-4-thiophen-3-yltriazole
SMILESCS(=O)(=O)n1cc(-c2ccsc2)nn1
InChIInChI=1S/C7H7N3O2S2/c1-14(11,12)10-4-7(8-9-10)6-2-3-13-5-6/h2-5H,1H3
InChIKeyADHQOOYEZMOPLU-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.81
Rot. Bonds2

About 1-methylsulfonyl-4-thiophen-3-yltriazole

1-methylsulfonyl-4-thiophen-3-yltriazole (PubChem CID 135083839) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-methylsulfonyl-4-thiophen-3-yltriazole.

Molecular Properties

Compound Name1-methylsulfonyl-4-thiophen-3-yltriazole
PubChem CID135083839
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name1-methylsulfonyl-4-thiophen-3-yltriazole
SMILESCS(=O)(=O)n1cc(-c2ccsc2)nn1
InChIInChI=1S/C7H7N3O2S2/c1-14(11,12)10-4-7(8-9-10)6-2-3-13-5-6/h2-5H,1H3
InChIKeyADHQOOYEZMOPLU-UHFFFAOYSA-N
XLogP0.81
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-thiophen-3-yltriazole?
The IUPAC name of 1-methylsulfonyl-4-thiophen-3-yltriazole (CID 135083839) is 1-methylsulfonyl-4-thiophen-3-yltriazole.
What is the SMILES notation for 1-methylsulfonyl-4-thiophen-3-yltriazole?
The canonical SMILES for 1-methylsulfonyl-4-thiophen-3-yltriazole is CS(=O)(=O)n1cc(-c2ccsc2)nn1.
What is the InChIKey of 1-methylsulfonyl-4-thiophen-3-yltriazole?
The InChIKey is ADHQOOYEZMOPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-14(11,12)10-4-7(8-9-10)6-2-3-13-5-6/h2-5H,1H3.
What are the key properties of 1-methylsulfonyl-4-thiophen-3-yltriazole?
1-methylsulfonyl-4-thiophen-3-yltriazole has a molecular weight of 229.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-thiophen-3-yltriazole is sourced from PubChem (CID 135083839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).