5-Methylthio-1H-tetrazole
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 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 42 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
29515-99-9SMILES
CSc1nn[nH]n1InChIKey
ZBXNFTFKKOSPLD-UHFFFAOYSA-NInChI
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
Similar compounds
5-(Ethylthio)-1H-tetrazole89797-68-252 % similar
5-Methyl-2H-tetrazole4076-36-240 % similar
5-Benzylthio-1H-tetrazole21871-47-639 % similar
3-Methylthio-1,2,4-triazine28735-21-936 % similar
Aminotetrazole5378-49-435 % similar
5-(4-Pyridyl)-1H-tetrazole14389-12-932 % similar
5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-432 % similar
4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-031 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.