5-(Methylsulfanyl)-1,3,4-thiadiazol-2-amine

C₃H₅N₃S₂CAS 5319-77-7147.21 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₃H₅N₃S₂
Molar mass: 147.21 g/mol
Exact mass: 146.9925 Da
Melting point: 177–178 °C
logP: 0.67Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5319-77-7

SMILES

CSc1n[nH]c(=N)s1

InChIKey

PCLAZAJARAIGGD-UHFFFAOYSA-N

InChI

InChI=1S/C3H5N3S2/c1-7-3-6-5-2(4)8-3/h1H3,(H2,4,5)

Weigh it out

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

Names and synonyms

12 names

5-(Methylthio)-1,3,4-thiadiazol-2-amine
1,3,4-Thiadiazol-2-amine, 5-(methylthio)-
1,3,4-Thiadiazole, 2-amino-5-(methylthio)-
2-Amino-5-(methylthio)-1,3,4-thiadiazole
2-Amino-5-methylthio-1,2,4-thiadiazol
2-Amino-5-methylmercapto-1,3,4-thiadiazole
5-(Methylthio)-2-amino-1,3,4-thiadiazole
5-Amino-2-(methylthio)-1,3,4-thiadiazole
NSC 67524
5-(Methylthio)-[1,3,4]thiadiazol-2-amine
2-Amino-5-(methylthio)thiadiazole
2-Amino-5-methylthio-1,3,4-thiadiazol

Work with 5-(Methylsulfanyl)-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

5-(Ethylthio)-1,3,4-thiadiazol-2-amine25660-70-258 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-848 % similar 5-[(Phenylmethyl)thio]-1,3,4-thiadiazol-2-amine25660-71-346 % similar 5-(Trifluoromethyl)-1,3,4-thiadiazol-2-amine10444-89-044 % similar 2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-244 % similar 5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-amine39222-73-644 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-943 % similar 5-Methylthio-1,3,4-thiadiazole-2-thiol6264-40-033 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook