Accelerator CZ

C13H16N2S2CAS 95-33-0264.40 g/mol

Open in Covalent MOL file
SSHNN
Secondary amine

Properties

Molecular formula
C13H16N2S2
Molar mass
264.40 g/mol
Exact mass
264.0755 Da
Density
1.27 g/mL
Melting point
93–100 °C
logP
4.23Crippen estimate
Polar surface area
24.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Harmonised EU classification (CLP Annex VI, index 613-136-00-6), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number
95-33-0
SMILES
c1ccc2sc(SNC3CCCCC3)nc2c1
InChIKey
DEQZTKGFXNUBJL-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.47 (dd, J = 7.7, 1.6 Hz, 1H), 7.32 (m, J = 7.7, 1.6 Hz, 1H), 7.26 (m, J = 7.7, 1.6 Hz, 1H), 7.22 (m, J = 7.7, 1.6 Hz, 1H), 2.78 (quint, J = 7.0 Hz, 1H), 1.67 (q, J = 7.0 Hz, 4H), 1.43 (m, J = 7.0 Hz, 4H), 1.43 (m, J = 7.0 Hz, 2H), 1.20 (br s, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 164.6, 156.0, 132.0, 132.0, 128.0, 126.3, 121.2, 57.9, 32.9, 26.9, 24.9.
[M + H]+
[M + H]+ Calcd for C13H17N2S2 265.0828
[M + Na]+
[M + Na]+ Calcd for C13H16N2NaS2 287.0647
[M − H]−
[M − H]− Calcd for C13H15N2S2 263.0682
Elemental analysis
Anal. Calcd for C13H16N2S2: C, 59.05; H, 6.10; N, 10.60; S, 24.25.

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Names and synonyms

65 names · show all
  • 2-Benzothiazolesulfenamide, N-cyclohexyl-
  • N-Cyclohexyl-2-benzothiazolesulfenamide
  • Conac A
  • Curax
  • Delac S
  • Conac S
  • Royal CBTS
  • Santocure
  • Sulfenamide ts
  • N-Cyclohexylbenzothiazolesulfenamide
  • Ekagom CBS
  • Vulkacit CZ
  • Vulcafor CBS
  • Sulfenax CB
  • Thiohexam
  • Sulfenax
  • Sulfenax CB 30
  • Rhodifax 16
  • N-Cyclohexylbenzothiazole-2-sulphenamide
  • 2-(Cyclohexylaminothio)benzothiazole
  • Benzothiazyl-2-cyclohexylsulfenamide
  • CBS
  • Nocceler CZ
  • Vulkacit C
  • Soxinol CZ
  • Sulfenax CB/K
  • Vulkacit CZ/K
  • Vulkacit CZ/C
  • Pennac CBS
  • Accicure HBS
  • N-Cyclohexyl-2-benzothiazolylsulphenamide
  • Sanceler CM-PO
  • Vulcafor HBS
  • Sanceler CM
  • Nocceler CZ-P
  • CBTS
  • N-Cyclohexyl-2-benzothiazolylsulfenamide
  • N-Cyclohexyl-2-benzothiazylsulfenamide
  • Nocceler CZ-G
  • Rhenogran CBS
  • 2-Benzothiazolesulfenic acid N-cyclohexylamide
  • Accel CZ
  • Durax
  • Vulkafil ZN 94TT02
  • Sanceler CZ-P
  • Vulkacit CZ/EG-C
  • Sanceler CM-G
  • CBS (accelerator)
  • CZ-G
  • Santocure CBS
  • NSC 4809
  • Banac CBS
  • Vulkacit CZ/EG
  • Vulkacit CZ/CV
  • Perkacit CBS
  • Sanceler CZ-G
  • Rhenogran CBS 80
  • Accelerator CM
  • CZ
  • CBS 80
  • Accelerator CBS
  • CZ Vulcanizer
  • Nocceler CZ-R
  • CZ 80
  • Oricel CZ

Work with Accelerator CZ

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

N,N-Dicyclohexyl-2-benzothiazolesulfenamide4979-32-258 % similar Accelerator DM120-78-551 % similar N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide95-31-851 % similar 2-(Methylthio)benzothiazole615-22-548 % similar TCMTB21564-17-045 % similar 2-(4-Morpholinothio)benzothiazole102-77-243 % similar 2-(2-Benzothiazolylthio)acetic acid6295-57-443 % similar 2-(4-Morpholinodithio)benzothiazole95-32-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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