3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide

C10H8N4O2S2 — CID 16763739

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide
SMILESCn1nnnc1SC1=CS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H8N4O2S2/c1-14-10(11-12-13-14)17-8-6-18(15,16)9-5-3-2-4-7(8)9/h2-6H,1H3
InChIKeyIWEJTTGZNQSLIV-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.09
Rot. Bonds2

About 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide

3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide (PubChem CID 16763739) has the molecular formula C10H8N4O2S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide
PubChem CID16763739
Molecular FormulaC10H8N4O2S2
Molecular Weight280.33 g/mol
Exact Mass280.01
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide
SMILESCn1nnnc1SC1=CS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H8N4O2S2/c1-14-10(11-12-13-14)17-8-6-18(15,16)9-5-3-2-4-7(8)9/h2-6H,1H3
InChIKeyIWEJTTGZNQSLIV-UHFFFAOYSA-N
XLogP1.09
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide (CID 16763739) is 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide is Cn1nnnc1SC1=CS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide?
The InChIKey is IWEJTTGZNQSLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S2/c1-14-10(11-12-13-14)17-8-6-18(15,16)9-5-3-2-4-7(8)9/h2-6H,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide?
3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide has a molecular weight of 280.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 16763739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).