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Product No: AA6362

1-Pyrrolidinecarbodithioic acid, ammonium salt

Name: 1-Pyrrolidinecarbodithioic acid
Brand: Chempure

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CAS Number

5108-96-3

Molecular Weight

164.29

Formula

C5H9NS2 · NH3

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IUPAC name	azanium;pyrrolidine-1-carbodithioate
canonical smiles	C1CCN(C1)C(=S)[S-].[NH4+]
inchi	InChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
inchi key	MDDIUTVUBYEEEM-UHFFFAOYSA-N
molecular formula	C5H12N2S2
synonyms	5108-96-3 Ammonium pyrrolidinedithiocarbamate Ammonium pyrrolidine-1-carbodithioate Pyrrolidinedithiocarbamate ammonium 1-Pyrrolidinecarbodithioic acid ammonium salt

Computed Properties

Molecular Weight:	164.3 g/mol
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	164.04419074 g/mol
Monoisotopic Mass:	164.04419074 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	91.1
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:	2
Compound Is Canonicalized:	Yes

Related Compounds

Pyrrolidine dithiocarbamic acid

Ammonium pyrrolidyldithiocarbamate

Ammonium pyrrolidine-1-carbodithioate

Pyrrolidine-1-carbodithioate

Sodium pyrrolidine-1-carbodithioate

S-(pyrrolidine-1-carbonothioyl)thiohydroxylamine

Potassium;pyrrolidine-1-carbodithioate

Pyrrolidine-1-carbodithioate;ZINC

Azanium;pyrrolidine-1-carbodithioic acid

Copper(1+);pyrrolidine-1-carbodithioate

Carbanylium;pyrrolidine-1-carbodithioate

Pyrrolidine-1-carbodithioate;technetium-99

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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]
hazards summary	Causes effects on proteins in acute intraperitoneal toxic-dose studies of rats. A skin and strong eye irritant.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*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	azanium;pyrrolidine-1-carbodithioate
canonical smiles	C1CCN(C1)C(=S)[S-].[NH4+]
inchi	InChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
inchi key	MDDIUTVUBYEEEM-UHFFFAOYSA-N
molecular formula	C5H12N2S2
synonyms	5108-96-3 Ammonium pyrrolidinedithiocarbamate Ammonium pyrrolidine-1-carbodithioate Pyrrolidinedithiocarbamate ammonium 1-Pyrrolidinecarbodithioic acid ammonium salt

Computed Properties

Molecular Weight:	164.3 g/mol
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	164.04419074 g/mol
Monoisotopic Mass:	164.04419074 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	91.1
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:	2
Compound Is Canonicalized:	Yes

Related Compounds

Pyrrolidine dithiocarbamic acid

Ammonium pyrrolidyldithiocarbamate

Ammonium pyrrolidine-1-carbodithioate

Pyrrolidine-1-carbodithioate

Sodium pyrrolidine-1-carbodithioate

S-(pyrrolidine-1-carbonothioyl)thiohydroxylamine

Potassium;pyrrolidine-1-carbodithioate

Pyrrolidine-1-carbodithioate;ZINC

Azanium;pyrrolidine-1-carbodithioic acid

Copper(1+);pyrrolidine-1-carbodithioate

Carbanylium;pyrrolidine-1-carbodithioate

Pyrrolidine-1-carbodithioate;technetium-99

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): 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]
hazards summary	Causes effects on proteins in acute intraperitoneal toxic-dose studies of rats. A skin and strong eye irritant.

Product No: AA6362

1-Pyrrolidinecarbodithioic acid, ammonium salt

Product No: AA6362

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: AA6362

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?