1,3,4-Thiadiazol-2-amine

C₂H₃N₃SCAS 4005-51-0101.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₃N₃S
Molar mass: 101.13 g/mol
Exact mass: 101.0048 Da
Melting point: 190–192 °C
logP: -0.05Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed10.6% of notifiers
H302 Harmful if swallowed89.4% of notifiers
H315 Causes skin irritation91.5% of notifiers
H319 Causes serious eye irritation91.5% of notifiers
H335 May cause respiratory irritation87.2% of notifiers
H341 Suspected of causing genetic defects10.6% of notifiers
H361 Suspected of damaging fertility or the unborn child10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4005-51-0

SMILES

N=c1[nH]ncs1

InChIKey

QUKGLNCXGVWCJX-UHFFFAOYSA-N

InChI

InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)

Weigh it out

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

Names and synonyms

10 names

1,3,4-Thiadiazole, 2-amino-
2-Amino-1,3,4-thiadiazole
Aminothiadiazole
NSC 4728
TF 128
2-Aminothiadiazole
1,3,4-Thiadiazole-2-amine
5-Amino-1,3,4-thiadiazole
1,3,4-Thiadiazol-2-ylamine
2-Amine-1,3,4-thiadiazole

Work with 1,3,4-Thiadiazol-2-amine

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

2-Aminothiazole96-50-435 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-831 % similar 2-Amino-4-methylthiazole1603-91-431 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-931 % similar 2-Thiazolamine hydrochloride6142-05-831 % similar 1,3,4-Thiadiazole-2,5-diamine2937-81-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Mercapto-1,2,4-triazole3179-31-5 1,2,3-Thiadiazol-5-amine4100-41-8 5-Amino-1,2,4-thiadiazole7552-07-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook