2,5-Dimethylthiazole

C₅H₇NSCAS 4175-66-0113.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₇NS
Molar mass: 113.18 g/mol
Exact mass: 113.0299 Da
Density: 1.028 g/mL (at 21 °C)
Boiling point: 153 °C (at 758 Torr)
logP: 1.76Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

4175-66-0

SMILES

Cc1cnc(C)s1

InChIKey

WVUHHPQQQLBMOE-UHFFFAOYSA-N

InChI

InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3

Weigh it out

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

Names and synonyms

2 names

Thiazole, 2,5-dimethyl-
2,5-Dimethyl-1,3-thiazole

Work with 2,5-Dimethylthiazole

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-Chloro-5-methylthiazole33342-65-352 % similar 2-Bromo-5-methylthiazole41731-23-152 % similar 2-Methyl-5-methoxythiazole38205-64-048 % similar 2-Methylthiazole-5-carbaldehyde1003-60-746 % similar 2-Methyl-5-thiazolecarboxylic acid40004-69-142 % similar 5-Methylthiazole-2-carboxylic acid61291-21-242 % similar 2,5-Dimethyl-1,3,4-thiadiazole27464-82-036 % similar 2,5-Dimethylthiophene638-02-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Thiophenemethanamine27757-85-3 3-Thiophenemethanamine27757-86-4 4,5-Dimethylthiazole3581-91-7 2,4-Dimethylthiazole541-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook