chempirical

2-N-Octyl-4-isothiazolin-3-one

C11H19NOSCAS 26530-20-1213.34 g/mol

Open in Covalent MOL file
NSO

Properties

Molecular formula
C11H19NOS
Molar mass
213.34 g/mol
Exact mass
213.1187 Da
Melting point
below 25 °C
Boiling point
120 °C
logP
3.27Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
26530-20-1
SMILES
CCCCCCCCn1sccc1=O
InChIKey
JPMIIZHYYWMHDT-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3

Weigh it out

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

Names and synonyms

54 names · show all
  • 3(2H)-Isothiazolone, 2-octyl-
  • 4-Isothiazolin-3-one, 2-octyl-
  • 2-Octyl-3(2H)-isothiazolone
  • 2-n-Octyl-4-isothiozolin-3-one
  • 2-n-Octyl-3-isothiazolone
  • 2-Octyl-3-isothiazolinone
  • Kathon LP preservative
  • 2-Octyl-3-isothiazolone
  • 2-Octyl-4-isothiazolin-3-one
  • Skane M 8
  • RH 893
  • 2-Octyl-4-isothiazoline-3-one
  • Octhilinone
  • Pancil
  • Micro-chek 11
  • Micro-chek 11D
  • Kathon SP 70
  • Kathon 893
  • Kathon LM
  • Skane 8
  • Pancil T
  • 2-Octyl-4-isothiazolinone
  • Kathon 4200
  • 2-n-Octylisothiazolin-3-one
  • Vinyzene IT 3000DIDP
  • Kathon 893F
  • Kathon 893T
  • A-DW
  • Ecoplast PA 20
  • Ultra-fresh DM 25
  • Zonen 0/100
  • SD 888
  • 4-Octylisothiazolin-3-one
  • Acticide 45
  • Acticide OTW
  • Microban LB 6
  • Zonen O 100
  • Rosima 243
  • Levanax BS 50
  • Biocut TR 120
  • OIT
  • Acticide WB 909
  • Acticide OTW 16
  • OTA 20
  • n-Octylisothiazolinone
  • M 8
  • Biotin T
  • OIT 99
  • Acticide OTA 20
  • OTW
  • Octylisothiazolinone
  • Acticide CSP
  • Skane M 8-2000
  • 2-Octyl-2H-isothiazol-3-one

Work with 2-N-Octyl-4-isothiazolin-3-one

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dichlorooctylisothiazolinone64359-81-542 % similar 2-Methyl-4-isothiazoline-3-one2682-20-440 % similar N-Butyl-1,2-benzisothiazolin-3-one4299-07-439 % similar 2-Methyl-4-isothiazolin-3-one hydrochloride26172-54-337 % similar Poly(3-hexylthiophene)104934-50-135 % similar 3-Dodecylthiophene104934-52-335 % similar 3-N-Octadecylthiophene104934-54-535 % similar 3-Tetradecylthiophene110851-66-635 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook