3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide

C11H8N2O2S4 — CID 15944390

IUPAC3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
SMILESCSc1nsc(SC2=CS(=O)(=O)c3ccccc32)n1
InChIInChI=1S/C11H8N2O2S4/c1-16-10-12-11(18-13-10)17-8-6-19(14,15)9-5-3-2-4-7(8)9/h2-6H,1H3
InChIKeyKRDIUABWZZNRRA-UHFFFAOYSA-N
MW328.47 g/mol
LogP3.14
Rot. Bonds3

About 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide

3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide (PubChem CID 15944390) has the molecular formula C11H8N2O2S4 and a molecular weight of 328.47 g/mol. Its IUPAC name is 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
PubChem CID15944390
Molecular FormulaC11H8N2O2S4
Molecular Weight328.47 g/mol
Exact Mass327.95
IUPAC Name3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
SMILESCSc1nsc(SC2=CS(=O)(=O)c3ccccc32)n1
InChIInChI=1S/C11H8N2O2S4/c1-16-10-12-11(18-13-10)17-8-6-19(14,15)9-5-3-2-4-7(8)9/h2-6H,1H3
InChIKeyKRDIUABWZZNRRA-UHFFFAOYSA-N
XLogP3.14
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide (CID 15944390) is 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide is CSc1nsc(SC2=CS(=O)(=O)c3ccccc32)n1.
What is the InChIKey of 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is KRDIUABWZZNRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S4/c1-16-10-12-11(18-13-10)17-8-6-19(14,15)9-5-3-2-4-7(8)9/h2-6H,1H3.
What are the key properties of 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide has a molecular weight of 328.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 15944390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).