2-Mercaptobenzothiazole

Molecule SVG Image

Properties Simple | Detailed

Formula C7H5NS2
IUPAC Name 1,3-benzothiazole-2-thione
Molecular Mass 167.251 g·mol−1
Heat of Formation 208.9 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 182.24 Å 3
Surface Area 180.87 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-benzothiazole-2-thiol
  • 2(3h)-benzothiazolethione
  • 2-benzothiazolethiol
  • 2-benzothiazolinethione
  • 2-benzothiazolyl mercaptan
  • 2-mbt
  • 2-mercaptobenzothiazole (in liquid mixtures)
  • 2-mercaptobenzthiazole
  • 2-mercptobenzothiazole
  • 3h-1,3-benzothiazole-2-thione
  • accel m
  • accelerator m
  • ag 63
  • benzothiazole, mercapto-
  • benzothiazole-2-thiol
  • benzothiazole-2-thione
  • benzothiazolethiol
  • captax
  • caswell no. 541
  • dermacid
  • ekagom g
  • epa pesticide chemical code 051701
  • kaptaks
  • kaptax
  • mbt
  • mebetizole
  • mebithizol
  • mercaptobenzothiazol
  • mercaptobenzothiazole
  • mercaptobenzothiazole (van)
  • mercaptobenzthiazole
  • mertax
  • nuodeb 84
  • nuodex 84
  • pennac mbt powder
  • pneumax mbt
  • rokon
  • rotax
  • royal mbt
  • soxinol m
  • sulfadene
  • thiotax
  • usaf gy-3
  • usaf xr-29
  • vulkacit m
  • vulkacit mercapto
  • vulkacit mercapto/c
CAS Number(s)
  • 112242-83-8
  • 119170-41-1
  • 12640-90-3
  • 4464-58-8
  • 55199-93-4
  • 81605-65-4
  • 149-30-4
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N