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2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1)

ChemSpider ID: 38033
Molecular Formula: C₈H₉ClN₂O₂S₂
Monoisotopic mass: 263.979401 Da
Systematic name

2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1)
SMILES and InChIs

SMILES:

ClC=1SN(C(=O)C=1)C.O=C1/C=C\SN1C Copied

Std. 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 Copied

Std. InChIKey:

QYYMDNHUJFIDDQ-UHFFFAOYSA-N Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Kathon biocide

2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1) [ACD/IUPAC Name]

3(2H)-isothiazolone, 2-methyl-, compd. with 5-chloro-2-methyl-3(2H)-isothiazolone (1:1)

229619-22-1 [RN]

3(2H)-Isothiazolone, 5-chloro-2-methyl-, mixt. with 2-methyl-3(2H)-isothiazolone

55965-84-9 [RN]

5-CHLORO-2-METHYL-3(2H)-ISOTHIAZOLONE MIXT. WITH 2-METHYL-3(2H)-ISOTHIAZOLONE

5-Chloro-2-methyl-isothiazol-3-one

5-Chloro-2-methyl-isothiazol-3-one; compound with 2-methyl-isothiazol-3-one

70294-89-2 [RN]

More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

CCRIS 4652 [DBID]

EPA Pesticide Chemical Code 107103 [DBID]

EPA Pesticide Chemical Code 107104 [DBID]

KKM 43 [DBID]

MBC 215 [DBID]

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.244	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.24	ACD/LogD (pH 7.4):	0.24
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	32.35	ACD/KOC (pH 7.4):	32.35
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	0	Polar Surface Area:	45.61 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	74.9 °C	Enthalpy of Vaporization:	43.64 kJ/mol
Boiling Point:	200.2 °C at 760 mmHg	Vapour Pressure:	0.328 mmHg at 25°C

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NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

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2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1)

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Std. InChI:

Std. InChIKey:

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2-Methyl-1,2-thiazol-3(2H)-one - 5-chloro-2-methyl-1,2-thiazol-3(2H)-one (1:1)

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