2,5-Dimethyl-1,3,4-thiadiazole

C4H6N2SCAS 27464-82-0114.17 g/mol

Open in Covalent MOL file
NNS

Properties

Molecular formula
C4H6N2S
Molar mass
114.17 g/mol
Exact mass
114.0252 Da
Melting point
65 °C
Boiling point
202.5 °C
logP
1.15Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
27464-82-0
SMILES
Cc1nnc(C)s1
InChIKey
JXQGICFGPUAVLJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S/c1-3-5-6-4(2)7-3/h1-2H3

Weigh it out

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

Names and synonyms

2 names
  • 1,3,4-Thiadiazole, 2,5-dimethyl-
  • NSC 93787

Work with 2,5-Dimethyl-1,3,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Mercapto-5-methyl-1,3,4-thiadiazole29490-19-558 % similar 2,4,5-Trimethylthiazole13623-11-536 % similar 2,5-Dimethylthiazole4175-66-036 % similar 2-Amino-5-methyl-1,3,4-thiadiazole108-33-833 % similar 5-Bromo-2,4-dimethyl-1,3-thiazole28599-52-233 % similar 2-Methylthiazole3581-87-133 % similar Sulfamethizole144-82-131 % similar 2-Methylbenzothiazole120-75-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-methylthiazole1603-91-4 (2-Thiazolyl)methylamine55661-33-1 Methimazole60-56-0 2-Amino-5-methylthiazole7305-71-7

Elsewhere

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