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Product No: DT7958

2-Acetamido-5-mercapto-1,3,4-thiadiazole, min.96% (HPLC)

Name: 2-Acetamido-5-mercapto-1,3,4-thiadiazole
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

32873-56-6

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About this item

IUPAC name	N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide
canonical smiles	CC(=O)NC1=NNC(=S)S1
inchi	InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
inchi key	DWSMAMSVZRCQMP-UHFFFAOYSA-N
molecular formula	C4H5N3OS2
synonyms	32873-56-6 2-Acetylamino-5-mercapto-1,3,4-thiadiazole 2-Acetamido-5-mercapto-1,3,4-Thiadiazole N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide N-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide

Computed Properties

Molecular Weight:	175.2 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	174.98740414 g/mol
Monoisotopic Mass:	174.98740414 g/mol
Topological Polar Surface Area:	111 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	213
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

Acetanilide

Diuron

Formanilide

Methyl N-(3,4-dichlorophenyl)carbamate

Chlorotoluron

o-Acetotoluidide

4'-Chloroacetanilide

Metoxuron

2-Hydroxy-5-(trifluoromethyl)pyridine

2-Chloroacetanilide

3'-Chloroacetanilide

4'-Methylacetanilide

3'-Methylacetanilide

N-(2,4-Dimethylphenyl)acetamide

2',5'-Dichloroacetanilide

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) Resp. Sens. 1 (50%) STOT SE 3 (50%)
precautionary statement codes	P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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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	N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide
canonical smiles	CC(=O)NC1=NNC(=S)S1
inchi	InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
inchi key	DWSMAMSVZRCQMP-UHFFFAOYSA-N
molecular formula	C4H5N3OS2
synonyms	32873-56-6 2-Acetylamino-5-mercapto-1,3,4-thiadiazole 2-Acetamido-5-mercapto-1,3,4-Thiadiazole N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide N-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide

Computed Properties

Molecular Weight:	175.2 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	174.98740414 g/mol
Monoisotopic Mass:	174.98740414 g/mol
Topological Polar Surface Area:	111 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	213
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

Acetanilide

Diuron

Formanilide

Methyl N-(3,4-dichlorophenyl)carbamate

Chlorotoluron

o-Acetotoluidide

4'-Chloroacetanilide

Metoxuron

2-Hydroxy-5-(trifluoromethyl)pyridine

2-Chloroacetanilide

3'-Chloroacetanilide

4'-Methylacetanilide

3'-Methylacetanilide

N-(2,4-Dimethylphenyl)acetamide

2',5'-Dichloroacetanilide

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) Resp. Sens. 1 (50%) STOT SE 3 (50%)
precautionary statement codes	P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: DT7958

2-Acetamido-5-mercapto-1,3,4-thiadiazole, min.96% (HPLC)

Product No: DT7958

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: DT7958

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?