1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole

C13H16N8S2 — CID 155550035

IUPAC1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
SMILESCCn1nnnc1SCCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C13H16N8S2/c1-2-20-12(14-16-18-20)22-9-6-10-23-13-15-17-19-21(13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyWFSJLUYJXSFEIB-UHFFFAOYSA-N
MW348.46 g/mol
LogP1.94
Rot. Bonds8

About 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole

1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole (PubChem CID 155550035) has the molecular formula C13H16N8S2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
PubChem CID155550035
Molecular FormulaC13H16N8S2
Molecular Weight348.46 g/mol
Exact Mass348.09
IUPAC Name1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
SMILESCCn1nnnc1SCCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C13H16N8S2/c1-2-20-12(14-16-18-20)22-9-6-10-23-13-15-17-19-21(13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyWFSJLUYJXSFEIB-UHFFFAOYSA-N
XLogP1.94
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The IUPAC name of 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole (CID 155550035) is 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole.
What is the SMILES notation for 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The canonical SMILES for 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole is CCn1nnnc1SCCCSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
The InChIKey is WFSJLUYJXSFEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8S2/c1-2-20-12(14-16-18-20)22-9-6-10-23-13-15-17-19-21(13)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3.
What are the key properties of 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole?
1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole has a molecular weight of 348.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole is sourced from PubChem (CID 155550035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).