5-Amino-3-ethyl-1,2,4-thiadiazole

C₄H₇N₃SCAS 17467-41-3129.18 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₄H₇N₃S
Molar mass: 129.18 g/mol
Exact mass: 129.0361 Da
logP: 0.68Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17467-41-3

SMILES

CCC1=NSC(=N1)N

InChIKey

VMSZFGJMDPANBP-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N3S/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H2,5,6,7)

Weigh it out

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

Work with 5-Amino-3-ethyl-1,2,4-thiadiazole

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-Amino-3-methyl-1,2,4-thiadiazole17467-35-546 % similar 5-Amino-3-trifluoromethyl-1,2,4-thiadiazole35581-44-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook