5-Benzylthio-1H-tetrazole
Properties
- Molecular formula
- C8H8N4S
- Molar mass
- 192.24 g/mol
- Exact mass
- 192.0470 Da
- Melting point
- 150–151 °C
- logP
- 1.49Crippen estimate
- Polar surface area
- 54.5 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation97.8% of notifiers
- H318 Causes serious eye damage97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
21871-47-6SMILES
c1ccc(CSc2nn[nH]n2)cc1InChIKey
GXGKKIPUFAHZIZ-UHFFFAOYSA-NInChI
InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2H-Tetrazole, 5-[(phenylmethyl)thio]-
- 1H-Tetrazole, 5-(benzylthio)-
- 1H-Tetrazole, 5-[(phenylmethyl)thio]-
- Tetrazole, 5-(benzylthio)-
- 5-[(Phenylmethyl)thio]-2H-tetrazole
- 5-Benzylmercapto-1,2,3,4-tetrazole
- NSC 282041
- 5-Benzylmercaptotetrazole
Work with 5-Benzylthio-1H-tetrazole
Similar compounds
5-Benzyl-1H-tetrazole18489-25-350 % similar
Benzyl phenyl sulfide831-91-450 % similar
5-(Ethylthio)-1H-tetrazole89797-68-248 % similar
5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine25660-71-341 % similar
5-Phenyltetrazole18039-42-441 % similar
Dibenzyl disulfide150-60-740 % similar
Dibenzyl sulfide538-74-940 % similar
5-Methylthio-1H-tetrazole29515-99-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.