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

C4H6N8S3 — CID 54427991

IUPAC1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
SMILESCn1nnnc1SSSc1nnnn1C
InChIInChI=1S/C4H6N8S3/c1-11-3(5-7-9-11)13-15-14-4-6-8-10-12(4)2/h1-2H3
InChIKeyWFMDRGZGOZTXRC-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.18
Rot. Bonds4

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

1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole (PubChem CID 54427991) has the molecular formula C4H6N8S3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
PubChem CID54427991
Molecular FormulaC4H6N8S3
Molecular Weight262.35 g/mol
Exact Mass261.99
IUPAC Name1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
SMILESCn1nnnc1SSSc1nnnn1C
InChIInChI=1S/C4H6N8S3/c1-11-3(5-7-9-11)13-15-14-4-6-8-10-12(4)2/h1-2H3
InChIKeyWFMDRGZGOZTXRC-UHFFFAOYSA-N
XLogP0.18
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.35
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-[(1-methyltetrazol-5-yl)tetrasulfanyl]tetrazole
CID 54538626
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
CID 63702874
1-methyl-5-[(1-methyltetrazol-5-yl)disulfanyl]tetrazole;1-methyl-2H-tetrazole-5-thione
CID 161195709
1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione
CID 15561103
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
5-(4-iodophenyl)sulfanyl-1-methyltetrazole
CID 130196299
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
CID 115914650
5-(4-chlorobut-2-enylsulfanyl)-1-methyltetrazole
CID 77051451
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole?
The IUPAC name of 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole (CID 54427991) is 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole.
What is the SMILES notation for 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole?
The canonical SMILES for 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole is Cn1nnnc1SSSc1nnnn1C.
What is the InChIKey of 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole?
The InChIKey is WFMDRGZGOZTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N8S3/c1-11-3(5-7-9-11)13-15-14-4-6-8-10-12(4)2/h1-2H3.
What are the key properties of 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole?
1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole has a molecular weight of 262.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole is sourced from PubChem (CID 54427991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).