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Product No: AB0019

1,2-Ethanedithiol, 99%

Name: 1,2-Ethanedithiol
Brand: Chempure

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CAS Number

540-63-6

Molecular Weight

94.19

Formula

C2H6S2

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IUPAC name	ethane-1,2-dithiol
canonical smiles	C(CS)S
inchi	InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
inchi key	VYMPLPIFKRHAAC-UHFFFAOYSA-N
molecular formula	C2H6S2
synonyms	1,2-ETHANEDITHIOL 540-63-6 Ethane-1,2-dithiol 1,2-Dimercaptoethane Dithioglycol

Computed Properties

Molecular Weight:	94.20 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	93.99109254 g/mol
Monoisotopic Mass:	93.99109254 g/mol
Topological Polar Surface Area:	2 Å²
Heavy Atom Count:	4
Formal Charge:	0
Complexity:	6
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

1,2-Dichloroethane

Ethyl Nitrite

1,2-Dichloroethylene

trans-1,2-Dichloroethylene

1,3-Dichloropropane

(Z)-1,3-Dichloropropene

cis-1,2-Dichloroethylene

1,2-Difluoroethane

1-Chloro-2-fluoroethane

N,O-Dimethylhydroxylamine

Dichloroacetylene

1,3-Propanedithiol

Methanedithiol

1,2-Ethanedithiol

Ethane-1,1-dithiol

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (94.82%) Acute Tox. 3 (23.3%) Acute Tox. 4 (76.7%) Acute Tox. 2 (13.92%) Acute Tox. 4 (10.36%) Eye Irrit. 2 (14.24%) Acute Tox. 2 (16.83%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P320, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (94.82%): Flammable liquid and vapor [Warning Flammable liquids] H301 (23.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (76.7%): Harmful if swallowed [Warning Acute toxicity, oral] H310 (13.92%): Fatal in contact with skin [Danger Acute toxicity, dermal] H312 (10.36%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (14.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (16.83%): Fatal if inhaled [Danger Acute toxicity, inhalation]
hazards summary	Vapors of ethanedithiol may cause severe headache and nausea. An eye, nose, and throat irritant. Inhalation can cause CNS depression. An irritant. See THIOLS.

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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	ethane-1,2-dithiol
canonical smiles	C(CS)S
inchi	InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
inchi key	VYMPLPIFKRHAAC-UHFFFAOYSA-N
molecular formula	C2H6S2
synonyms	1,2-ETHANEDITHIOL 540-63-6 Ethane-1,2-dithiol 1,2-Dimercaptoethane Dithioglycol

Computed Properties

Molecular Weight:	94.20 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	93.99109254 g/mol
Monoisotopic Mass:	93.99109254 g/mol
Topological Polar Surface Area:	2 Å²
Heavy Atom Count:	4
Formal Charge:	0
Complexity:	6
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

1,2-Dichloroethane

Ethyl Nitrite

1,2-Dichloroethylene

trans-1,2-Dichloroethylene

1,3-Dichloropropane

(Z)-1,3-Dichloropropene

cis-1,2-Dichloroethylene

1,2-Difluoroethane

1-Chloro-2-fluoroethane

N,O-Dimethylhydroxylamine

Dichloroacetylene

1,3-Propanedithiol

Methanedithiol

1,2-Ethanedithiol

Ethane-1,1-dithiol

hazard signal	Danger
hazard classes and categories	Flam. Liq. 3 (94.82%) Acute Tox. 3 (23.3%) Acute Tox. 4 (76.7%) Acute Tox. 2 (13.92%) Acute Tox. 4 (10.36%) Eye Irrit. 2 (14.24%) Acute Tox. 2 (16.83%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P320, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
hazard statements	H226 (94.82%): Flammable liquid and vapor [Warning Flammable liquids] H301 (23.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (76.7%): Harmful if swallowed [Warning Acute toxicity, oral] H310 (13.92%): Fatal in contact with skin [Danger Acute toxicity, dermal] H312 (10.36%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (14.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H330 (16.83%): Fatal if inhaled [Danger Acute toxicity, inhalation]
hazards summary	Vapors of ethanedithiol may cause severe headache and nausea. An eye, nose, and throat irritant. Inhalation can cause CNS depression. An irritant. See THIOLS.

Product No: AB0019

1,2-Ethanedithiol, 99%

Product No: AB0019

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: AB0019

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?