chempirical

Benzisothiazolinone

C7H5NOSCAS 2634-33-5151.18 g/mol

Open in Covalent MOL file
HONS
Phenol

Properties

Molecular formula
C7H5NOS
Molar mass
151.18 g/mol
Exact mass
151.0092 Da
Melting point
157–158 °C
logP
2.00Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
2634-33-5
SMILES
Oc1nsc2ccccc12
InChIKey
DMSMPAJRVJJAGA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

93 names · show all
  • SD 202
  • 1,2-Benzisothiazol-3(2H)-one
  • Nuosept 495
  • Nipacide BIT 20
  • Nuosept 491
  • Nipacide BIT
  • Canguard BIT
  • Nuosept 485
  • SD 202 (bactericide)
  • Benzo[d]isothiazol-3(2H)-one
  • Denicide BIT 20N
  • Acticide BIT
  • Benzoisothiazol-3-one
  • Bioban BIT 20DPG
  • Canguard BIT 20DPG
  • Proxel ultra 5
  • Parmetol D 11
  • Canguard ultra BIT 20LE
  • Koralone B 119
  • 2,3-Dihydrobenzisothiazol-3-one
  • Benzisothiazolin-3-one
  • GXL
  • Preventol BIT 20D
  • Troysan 1050
  • Acticide BW 20
  • BIT 20
  • Nipacide BIT 10W
  • BIT 10W
  • Proxel XL
  • AQ
  • AQ (antibacterial)
  • Proxel GXL(S)
  • Canguard BIT 20AS-E
  • Acticide B 20N
  • Bioban ultra bit
  • Rocima 640
  • Proxel LV
  • Proxel AQ
  • Mergal 753
  • Cation BIT 20
  • 1,2-Benzothiazoline-3-one
  • 1,2-Benzothiazolin-3-one
  • Acticide B 20
  • B 20
  • Bioban ultra BIT 20
  • Microcave BIT
  • Nuosept BIT technical
  • Promex 20D
  • Colipa P 96
  • BIT 20LE
  • Proxel K
  • 2,3-Dihydro-1,2-benzothiazol-3-one
  • Proxel XL-II
  • Proxel XL 11
  • Biox P 520W
  • Nuosept 498G
  • P 520W
  • BIT 521
  • BIT 665
  • XL 2
  • Acticide BIT 20N
  • Preventol BIT 20N
  • AZVIII 40A
  • Nipacide BIT 40
  • Lamfix SK
  • 1,2-Benzisothiazolin-3-one
  • 1,2-Benzisothiazolone
  • 3-Hydroxy-1,2-benzisothiazole
  • Proxel PL
  • Proxel press paste
  • Proxel XL 2
  • Proxel AB
  • Proxel GXL
  • Topcide 600
  • San-aibac AP
  • Proxel BDN
  • Proxel BD 20
  • 1,2-Benzoisothiazol-3-one
  • XBINX
  • Proxel BD
  • Benzisothiazolone
  • Proxel CF
  • 1,2-Benzisothiazol-3-one
  • Proxel TN
  • Bestcide 200K
  • Parmetol B 70
  • BIT
  • Proxel LV-S
  • Proxel press paste D
  • Apizas AP-DS
  • Proxel HL 2
  • Benzocil
  • Denicide BIT

Work with Benzisothiazolinone

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

2,3-Dihydro-1,4-phthalazinedione1445-69-846 % similar Quinazolinone491-36-142 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-041 % similar 6(5H)-Phenanthridinone1015-89-039 % similar 1(2H)-Isoquinolinone491-30-539 % similar Dibenzothiophene132-65-038 % similar 1(2H)-Phthalazinone119-39-138 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Thieno(3,2-b)pyridin-7-ol107818-20-2 2-Mercaptobenzoxazole2382-96-9 2-Benzothiazolinone934-34-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia