5-Chloromethyl-2-isopropyl-thiazole

C₇H₁₀ClNSCAS 40516-57-2175.67 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₇H₁₀ClNS
Molar mass: 175.67 g/mol
Exact mass: 175.0222 Da
logP: 3.01Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40516-57-2

SMILES

CC(C)C1=NC(=CS1)CCl

InChIKey

YGTDRZIMYRYHHD-UHFFFAOYSA-N

InChI

InChI=1S/C7H10ClNS/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,3H2,1-2H3

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

Names and synonyms

1 names

4-(Chloromethyl)-2-isopropyl-1,3-thiazole

Work with 5-Chloromethyl-2-isopropyl-thiazole

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

N-Methyl-2-(1-methylethyl)-4-thiazolemethanamine154212-60-961 % similar 1-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride1185167-55-856 % similar 2-Isopropyl-4-((N-methylamino)methyl)thiazole hydrochloride908591-25-356 % similar 4-(Chloromethyl)-2-methyl-1,3-thiazole39238-07-853 % similar 2-Isopropyl-4-methylthiazole15679-13-750 % similar 4-Chloromethyl-2-methylthiazole hydrochloride77470-53-249 % similar Ureidovaline154212-61-040 % similar 2,6-Bis(chloromethyl)pyridine3099-28-334 % similar

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

Same formula

4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride28783-41-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook