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K 18500

CAS: 55965-84-9 | C8H9ClN2O2S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 55965-84-9
Molecular Formula: C8H9ClN2O2S2
Molecular Weight: 264.759 g/mol

Names and Synonyms:

K 18500
Kathon
Isocil (antibacterial)
3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone
3(2H)-Isothiazolone, 2-methyl-, mixt. contg.
Isothiazolinone chloride
Kathon 886MW
Kathon 886
Kathon LX
Kathon biocide
Kathon CG
KKM 43
Bio-Perge
Kathon 886W
Kathon RH 886
Kathon WT
Amerstat 252
Kathon CG/ICP
Slaoff 360
Kathon MWC
Zonen F
MBC 215
Legend MK
Kathon
Tret-O-Lite XC 215
ProClin 300
Acticide RS
Acticide 14
Kaisong
Kathon 886F
Microcide III
Kathon LX Plus
Isocil RW
Kathon ICP
Somacide RS
Kathon CG/ICP II
Kathon LX 1.5
A 14
A 14 (antimicrobial)
Kathon PFM
Nalco 7330
Isocil
Kathon LX-SF 25
ProClin 200
Kathon LXE
SD 818
5-Chloro-2-methyl-4-isothiazolin-3-one-2-methyl-4-isothiazolin-3-one mixture
LXE
Mirecide KW
Kathon CG 110
Acticide MV 14
Biocide K 10ME
Biocide K 10SG
Biocide K
Nipacide CI
Acticide LG
Trelin CT
Kathon CF 1400
Biocide SMB
Canguard CM 14
RS
Kathon FP 1.5
Canguard CM 1P5
Hokucide R 150
LH 2
LH 2 (corrosion inhibitor)
Nipacide CI 15
Bodoxin
Fennosan IT 21
Acticide MV
Actocode MV
Kathon EDC
Kathon LX 1400
RHZL 03
ProClin 150
KS 2
Spectrus NX 1106
TST 25
Zonen FP
Sharomix MCI
Rocima 625
MV
BEK 500
SS 411GY
SD 818 (antibacterial)
Nipaguard CMB
K 10SG
Zonen C
Kuriverter EC 503
Acticide 5008
Mirecide KW 600
CMIT-MIT mixt.
Kordek MIX
CIT-MIT 14
JE 120
Odycide B 330
5-Chloro-2-methyl-4-isothiazolin-3-one-2-methyl-4-isothiazolin-3-one mixt.
Nipacide CI 15MV
CI 15
Preventol D 7
Chloromethylisothiazolinone-methylisothiazolinone mixt.
Methylisothiazolinone-chloromethylisothiazolinone mixt.
M 30
M 30 (antibacterial)
Bodedex forte
Kathon LX-SF
HY 606D
Hydorol D 15
Alchinol D 15
Nipacide 15TR
Euxyl K 120
Kathon LX 150
Nipaguard CG
A 04
KY
Methylchloroisothiazolinone-methylisothiazolinone mixt.
Methylchloroisothiazolinone-methylisothiazolinone mixture
CM 10
SupGuard K 15
K 15
SP 1025
Kathon 2
Parmatol A 26
Kathon LXE 1.5
Microker IT
CM 1P5
Yisaizuolintong
LX 150
CMC
Proxel CMC
Disco AG Clear L 650
D 7
SP 301B
Topcide 1000
CY 1 (antiseptic)
CY 1
Rocima 631
Dow 631
DLX 601
K 25
BIM MC 4901
K 18
K 18 (preservative)
MC
Yongfeng MC
JX 515-5
Preventol D 7CF
UN 3265
PC 300
M 87

Identifiers:

SMILES:
Cn1sc(Cl)cc1=O.Cn1sccc1=O
InChI:
InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 264.76 g/mol Legacy Database
cas-canonical-smile O=C1C=CSN1C.O=C1C=C(Cl)SN1C None Legacy Database
cas-inchi InChI=1S/C4H4ClNOS.C4H5NOS/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5/h2H,1H3;2-3H,1H3 None Legacy Database
cas-inchi-key InChIKey=QYYMDNHUJFIDDQ-UHFFFAOYSA-N None Legacy Database
cas-name Kathon None Legacy Database
LogP 1.5470000000000002 RDKit

Molecular

Property Value Source
Molecular Weight 264.759 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 263.979397208 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 15 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 44.0 Ų RDKit

Molar

Property Value Source
Molar Refractivity 64.13000000000001 RDKit

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