1,3,4-Thiadiazole-2,5-diamine

C₂H₄N₄SCAS 2937-81-7116.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₄N₄S
Molar mass: 116.14 g/mol
Exact mass: 116.0157 Da
Melting point: 210 °C
logP: -0.64Crippen estimate
Polar surface area: 79.3 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

2937-81-7

SMILES

N=c1[nH][nH]c(=N)s1

InChIKey

DXVLLEIKCNQUQH-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N4S/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)

Weigh it out

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

Names and synonyms

3 names

1,3,4-Thiadiazole, 2,5-diamino-
2,5-Diamino-1,3,4-thiadiazole
2,5-Diamino-1,3,4-thiadiazol

Work with 1,3,4-Thiadiazole-2,5-diamine

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-Amino-5-methyl-1,3,4-thiadiazole108-33-833 % similar 2-Amino-5-mercapto-1,3,4-thiadiazole2349-67-933 % similar 2-Amino-5-bromothiazole3034-22-833 % similar 2-Amino-5-methylthiazole7305-71-733 % similar 2-Aminobenzothiazole136-95-832 % similar 2-Aminothiazole96-50-432 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-131 % similar 2-Amino-5-bromo-4-methyl-1,3-thiazole3034-57-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Mercapto-1-methyltetrazole13183-79-4 3-Amino-5-mercapto-1,2,4-triazole16691-43-3 5-Methylthio-1H-tetrazole29515-99-9 4-Amino-4H-1,2,4-triazole-3-thiol4343-75-3

Elsewhere

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