5-Methylthio-1H-tetrazole

C₂H₄N₄SCAS 29515-99-9116.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₄N₄S
Molar mass: 116.14 g/mol
Exact mass: 116.0157 Da
Melting point: 150–151 °C
logP: -0.08Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

29515-99-9

SMILES

CSc1nn[nH]n1

InChIKey

ZBXNFTFKKOSPLD-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)

Weigh it out

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

Names and synonyms

7 names

2H-Tetrazole, 5-(methylthio)-
1H-Tetrazole, 5-(methylthio)-
Tetrazole, 5-(methylthio)-
5-(Methylthio)-2H-tetrazole
5-(Methylthio)tetrazole
NSC 141852
5-Methylsulfanyl-1H-tetrazole

Work with 5-Methylthio-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-Ethylthio-1H-tetrazole89797-68-252 % similar 5-Methyl-2H-tetrazole4076-36-240 % similar 5-Benzylthio-1H-tetrazole21871-47-639 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-031 % similar 4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-231 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-530 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Mercapto-1-methyltetrazole13183-79-4 3-Amino-5-mercapto-1,2,4-triazole16691-43-3 1,3,4-Thiadiazole-2,5-diamine2937-81-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook