6-(Methylsulfonyl)-2-benzothiazolamine

C8H8N2O2S2CAS 17557-67-4228.28 g/mol

Open in Covalent MOL file
SOONHNHS
Sulfone

Properties

Molecular formula
C8H8N2O2S2
Molar mass
228.28 g/mol
Exact mass
228.0027 Da
Melting point
226–228 °C
logP
1.11Crippen estimate
Polar surface area
73.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17557-67-4
SMILES
CS(=O)(=O)c1ccc2[nH]c(=N)sc2c1
InChIKey
ZYHNHJAMVNINSY-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)

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Names and synonyms

8 names
  • 2-Benzothiazolamine, 6-(methylsulfonyl)-
  • Benzothiazole, 2-amino-6-(methylsulfonyl)-
  • 2-Amino-6-(methylsulfonyl)benzothiazole
  • 2-Amino-6-methanesulfonylbenzothiazole
  • [6-(Methanesulfonyl)benzothiazol-2-yl]amine
  • SKA 16
  • 6-Methylsulfonylbenzothiazol-2-amine
  • 6-Methylsulfonyl-2-aminobenzothiazole

Work with 6-(Methylsulfonyl)-2-benzothiazolamine

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

2-Amino-6-methylbenzothiazole2536-91-653 % similar 2-Amino-6-methoxybenzothiazole1747-60-049 % similar 2-Amino-6-bromobenzothiazole15864-32-149 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-6-fluorobenzothiazole348-40-349 % similar 2-Amino-6-chlorobenzothiazole95-24-949 % similar 2-Amino-6-nitrobenzothiazole6285-57-045 % similar 2-Amino-6-benzothiazolecarboxylic acid93-85-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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