2-(5-Mercaptotetrazole-1-yl)ethanol

C₃H₆N₄OSCAS 56610-81-2146.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆N₄OS
Molar mass: 146.17 g/mol
Exact mass: 146.0262 Da
logP: -1.05Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

Danger

H228 Flammable solid100% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P501

Identifiers

CAS number

56610-81-2

SMILES

OCCn1nnnc1S

InChIKey

YKYUEQRWYGVUKB-UHFFFAOYSA-N

InChI

InChI=1S/C3H6N4OS/c8-2-1-7-3(9)4-5-6-7/h8H,1-2H2,(H,4,6,9)

Weigh it out

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

Names and synonyms

11 names

1,2-Dihydro-1-(2-hydroxyethyl)-5H-tetrazole-5-thione
5H-Tetrazole-5-thione, 1,2-dihydro-1-(2-hydroxyethyl)-
1-(2-Hydroxyethyl)tetrazole-5-thiol
5-Mercapto-1-tetrazoleethanol
5-Mercapto-1-(2-hydroxyethyl)-1H-tetrazole
1-(2-Hydroxyethyl)-5-mercaptotetrazole
[1-(2-Hydroxyethyl)-1H-1H-tetrazol-5-yl]thiol
1-(2-Hydroxyethyl)-5-mercapto-1H-tetrazole
1-(2-Hydroxyethyl)-1H-tetrazole-5-thiol
1-(2-Hydroxyethyl)-2H-tetrazole-5-thione
2-(5-Sulfanyl-1H-1,2,3,4-tetrazol-1-yl)ethan-1-ol

Work with 2-(5-Mercaptotetrazole-1-yl)ethanol

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

1-(2-(Dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione61607-68-955 % similar 1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-553 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid57658-36-349 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulfonic acid67146-22-949 % similar 5-Mercapto-1-methyltetrazole13183-79-439 % similar 5-Amino-1H-pyrazole-1-ethanol73616-27-036 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-434 % similar 1-Phenyl-5-mercaptotetrazole86-93-133 % similar

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

Elsewhere

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