4-Hydroxymethylthiazole

C4H5NOSCAS 7036-04-6115.15 g/mol

Open in Covalent MOL file
NSOH
Alcohol

Properties

Molecular formula
C4H5NOS
Molar mass
115.15 g/mol
Exact mass
115.0092 Da
logP
0.64Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
7036-04-6
SMILES
C1=C(N=CS1)CO
InChIKey
WQVOUANKVCYEIQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2

Weigh it out

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

Names and synonyms

1 names
  • (1,3-Thiazol-4-yl)methanol

Work with 4-Hydroxymethylthiazole

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

4-(Chloromethyl)-1,3-thiazole hydrochloride7709-58-248 % similar L-4-Thiazolylalanine119433-80-641 % similar D-4-Thiazolylalanine131896-42-941 % similar 2-Bromo-4-hydroxymethylthiazole5198-86-739 % similar 1,3-Oxazol-4-ylmethanol155742-48-638 % similar 2-Pyridinemethanol586-98-138 % similar 2-Pyrazinemethanol6705-33-538 % similar 2,6-Pyridinedimethanol1195-59-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Thiazol-2-ylmethanol14542-12-2 2-Methoxythiazole14542-13-3 2-Methyl-4-isothiazoline-3-one2682-20-4 5-Thiazolylmethanol38585-74-9

Elsewhere

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