5-(Ethylthio)-1H-tetrazole

C3H6N4SCAS 89797-68-2130.17 g/mol

Open in Covalent MOL file
SNNNHN
Sulfide

Properties

Molecular formula
C3H6N4S
Molar mass
130.17 g/mol
Exact mass
130.0313 Da
logP
0.31Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
89797-68-2
SMILES
CCSc1nn[nH]n1
InChIKey
GONFBOIJNUKKST-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N4S/c1-2-8-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 5-Ethylthio-1H-tetrazole
  • 2H-Tetrazole, 5-(ethylthio)-
  • Tetrazole, 5-(ethylthio)-
  • 1H-Tetrazole, 5-(ethylthio)-
  • 5-(Ethylthio)-2H-tetrazole

Work with 5-(Ethylthio)-1H-tetrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Methylthio-1H-tetrazole29515-99-952 % similar 5-Benzylthio-1H-tetrazole21871-47-648 % similar 5-Methyl-2H-tetrazole4076-36-236 % similar 5-(Ethylthio)-1,3,4-thiadiazol-2-amine25660-70-233 % similar Ethyl phenyl sulfide622-38-833 % similar 5-Chloromethyl-1H-tetrazole55408-11-232 % similar Ethyl tetrazole-5-carboxylate55408-10-132 % similar Aminotetrazole5378-49-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-5 4-Amino-5-methyl-4H-1,2,4-triazole-3-thiol20939-15-5 5-(Methylthio)-1H-1,2,4-triazol-3-amine45534-08-5

Elsewhere

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