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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.
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 |
