1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole

C5H8N8S2 — CID 1281683

IUPAC1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
SMILESCn1nnnc1SCSc1nnnn1C
InChIInChI=1S/C5H8N8S2/c1-12-4(6-8-10-12)14-3-15-5-7-9-11-13(5)2/h3H2,1-2H3
InChIKeyIKIVHPLBVFAHAS-UHFFFAOYSA-N
MW244.31 g/mol
LogP-0.42
Rot. Bonds4

About 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole

1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole (PubChem CID 1281683) has the molecular formula C5H8N8S2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
PubChem CID1281683
Molecular FormulaC5H8N8S2
Molecular Weight244.31 g/mol
Exact Mass244.03
IUPAC Name1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
SMILESCn1nnnc1SCSc1nnnn1C
InChIInChI=1S/C5H8N8S2/c1-12-4(6-8-10-12)14-3-15-5-7-9-11-13(5)2/h3H2,1-2H3
InChIKeyIKIVHPLBVFAHAS-UHFFFAOYSA-N
XLogP-0.42
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
The IUPAC name of 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole (CID 1281683) is 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole.
What is the SMILES notation for 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
The canonical SMILES for 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole is Cn1nnnc1SCSc1nnnn1C.
What is the InChIKey of 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
The InChIKey is IKIVHPLBVFAHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8S2/c1-12-4(6-8-10-12)14-3-15-5-7-9-11-13(5)2/h3H2,1-2H3.
What are the key properties of 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole?
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole has a molecular weight of 244.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole is sourced from PubChem (CID 1281683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).