Cafenstrole
Properties
- Molecular formula
- C16H22N4O3S
- Molar mass
- 350.44 g/mol
- Exact mass
- 350.1413 Da
- Melting point
- 115 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 85.2 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 4
Hazards
Danger
- H361 Suspected of damaging fertility or the unborn childReproductive toxicity
- H372 Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
NITE-CMC, via PubChem.
Precautionary statements
P203, P260, P264, P270, P280, P318, P319, P405, P501
Identifiers
CAS number
125306-83-4SMILES
CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1InChIKey
HFEJHAAIJZXXRE-UHFFFAOYSA-NInChI
InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-1,2,4-Triazole-1-carboxamide, N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-
- N,N-Diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamide
- CH 900
- Himeadow
- Grachitor
- Zuocaoan
Work with Cafenstrole
Similar compounds
3-Nitro-1-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole74257-00-433 % similar
1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-133 % similar
1-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-1,2,4-triazole54230-59-033 % similar
2,4,6-Trimethylbenzenesulfonic acid3453-83-631 % similar
Mesitylenesulfonyl chloride773-64-831 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds