1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole

C₉H₁₀N₄OSCAS 15182-68-0222.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀N₄OS
Molar mass: 222.27 g/mol
Exact mass: 222.0575 Da
logP: 1.72Crippen estimate
Polar surface area: 55.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H228 Flammable solid100% of notifiers

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

Precautionary statements

P210, P240, P241, P280, P370+P378

Identifiers

CAS number

15182-68-0

SMILES

CCOC1=CC=C(C=C1)N2C(=S)N=NN2

InChIKey

ASFXKDBHBVHSLT-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N4OS/c1-2-14-8-5-3-7(4-6-8)13-9(15)10-11-12-13/h3-6H,2H2,1H3,(H,10,12,15)

Weigh it out

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Work with 1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole

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

1,4-Diethoxybenzene122-95-244 % similar 4-Ethoxypyridine33399-46-138 % similar 4-Ethoxyphenylacetylene79887-14-238 % similar P-Phenetidine156-43-438 % similar 1-Ethoxy-4-fluorobenzene459-26-738 % similar 4-Bromophenetole588-96-538 % similar 1-Chloro-4-ethoxybenzene622-61-738 % similar 4-Ethoxyphenol622-62-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((1H-Benzimidazol-2-yl)sulfanyl)acetohydrazide30065-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook