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Product No: CI6806

3,4-Dichloro-1,2,5-thiadiazole, >98.0%

Name: 3,4-Dichloro-1,2,5-thiadiazole
Brand: Chempure

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CAS Number

5728-20-1

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About this item

IUPAC name	3,4-dichloro-1,2,5-thiadiazole
canonical smiles	C1(=NSN=C1Cl)Cl
inchi	InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
inchi key	YNZQOVYRCBAMEU-UHFFFAOYSA-N
molecular formula	C2Cl2N2S
synonyms	3,4-Dichloro-1,2,5-thiadiazole 5728-20-1 1,2,5-Thiadiazole, 3,4-dichloro- MFCD00010072 dichloro-1,2,5-thiadiazole

Computed Properties

Molecular Weight:	155.01 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	153.9159246 g/mol
Monoisotopic Mass:	153.9159246 g/mol
Topological Polar Surface Area:	54 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	62.7
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Paraldehyde

beta-PICOLINE

Acetic Anhydride

2,3-Butanedione

2,3,5,6-Tetramethylpyrazine

4-Methylthiazole

Clomethiazole

1,3,5-Trioxane

2,3,5-Trimethylpyrazine

4-Hydroxy-5-methylfuran-3(2H)-one

2-Ethyl-3-methylpyrazine

Acetylpyrazine

Quinoxaline

1,3-Dioxolane

2,4,5-Trimethyl-3-oxazoline

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (16.98%) Skin Irrit. 2 (92.45%) Eye Irrit. 2A (92.45%) STOT SE 3 (100%) Aquatic Chronic 3 (13.21%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (16.98%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (92.45%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.45%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (13.21%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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About this item

Documentation

Certificate of Analysis

Lot Number

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3,4-dichloro-1,2,5-thiadiazole
canonical smiles	C1(=NSN=C1Cl)Cl
inchi	InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
inchi key	YNZQOVYRCBAMEU-UHFFFAOYSA-N
molecular formula	C2Cl2N2S
synonyms	3,4-Dichloro-1,2,5-thiadiazole 5728-20-1 1,2,5-Thiadiazole, 3,4-dichloro- MFCD00010072 dichloro-1,2,5-thiadiazole

Computed Properties

Molecular Weight:	155.01 g/mol
XLogP3:	2.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	153.9159246 g/mol
Monoisotopic Mass:	153.9159246 g/mol
Topological Polar Surface Area:	54 Å²
Heavy Atom Count:	7
Formal Charge:	0
Complexity:	62.7
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Paraldehyde

beta-PICOLINE

Acetic Anhydride

2,3-Butanedione

2,3,5,6-Tetramethylpyrazine

4-Methylthiazole

Clomethiazole

1,3,5-Trioxane

2,3,5-Trimethylpyrazine

4-Hydroxy-5-methylfuran-3(2H)-one

2-Ethyl-3-methylpyrazine

Acetylpyrazine

Quinoxaline

1,3-Dioxolane

2,4,5-Trimethyl-3-oxazoline

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (16.98%) Skin Irrit. 2 (92.45%) Eye Irrit. 2A (92.45%) STOT SE 3 (100%) Aquatic Chronic 3 (13.21%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (16.98%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (92.45%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.45%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (13.21%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: CI6806

3,4-Dichloro-1,2,5-thiadiazole, >98.0%

Product No: CI6806

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CI6806

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?