5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole

C3H4N8S2 — CID 54214977

IUPAC5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole
SMILESC(Sc1nn[nH]n1)Sc1nn[nH]n1
InChIInChI=1S/C3H4N8S2/c1(12-2-4-8-9-5-2)13-3-6-10-11-7-3/h1H2,(H,4,5,8,9)(H,6,7,10,11)
InChIKeyQNEVCYHQAJHYHK-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.45
Rot. Bonds4

About 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole

5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole (PubChem CID 54214977) has the molecular formula C3H4N8S2 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole
PubChem CID54214977
Molecular FormulaC3H4N8S2
Molecular Weight216.25 g/mol
Exact Mass216.00
IUPAC Name5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole
SMILESC(Sc1nn[nH]n1)Sc1nn[nH]n1
InChIInChI=1S/C3H4N8S2/c1(12-2-4-8-9-5-2)13-3-6-10-11-7-3/h1H2,(H,4,5,8,9)(H,6,7,10,11)
InChIKeyQNEVCYHQAJHYHK-UHFFFAOYSA-N
XLogP-0.45
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,3-dimethyl-4-(2H-tetrazol-5-ylsulfanyl)butan-2-ol
CID 89109503
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine
CID 151884839
5-(3-benzylsulfanylpropylsulfanyl)-2H-tetrazole
CID 151701206
5-(2-ethenylphenyl)sulfanyl-2H-tetrazole
CID 88797674
2-cyclopropyl-5-(2H-tetrazol-5-ylsulfanylmethyl)-1,3-oxazole
CID 167768919
benzhydryl 2-(2H-tetrazol-5-ylsulfanyl)acetate
CID 88677143
4-[2-(2H-tetrazol-5-ylsulfanyl)ethoxy]benzoic acid
CID 28916149
4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine
CID 130686231
N-[1-(2H-tetrazol-5-ylsulfanyl)prop-2-enyl]acetamide
CID 88805352
N-benzyl-N-methyl-4-(2H-tetrazol-5-ylsulfanyl)butanamide
CID 21295517
5-methanidyl-2H-tetrazole;rutherfordium
CID 161074463

Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole?
The IUPAC name of 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole (CID 54214977) is 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole.
What is the SMILES notation for 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole?
The canonical SMILES for 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole is C(Sc1nn[nH]n1)Sc1nn[nH]n1.
What is the InChIKey of 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole?
The InChIKey is QNEVCYHQAJHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N8S2/c1(12-2-4-8-9-5-2)13-3-6-10-11-7-3/h1H2,(H,4,5,8,9)(H,6,7,10,11).
What are the key properties of 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole?
5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole has a molecular weight of 216.25 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-ylsulfanylmethylsulfanyl)-2H-tetrazole is sourced from PubChem (CID 54214977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).