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1,2-Ethanedithiol 95%

CAT: 0286-E02610-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-E02610-01Size:25 g
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CAS Number
540-63-6
Synonyms
Dithioglycol; Ethylene dimercaptan; Dithioethylene glycol
UN Code
UN3071
Pictogram
02 - Flammable; 06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00004892
Hazard Statement
H226 Flammable liquid and vapor; H301 Toxic if swallowed; H310 Fatal in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H330 Fatal if inhaled; H335 May cause respiratory irritation.
DOT Name
Mercaptans, Liquid, Toxic, Flammable, N.O.S.
DOT Classification
Class 6.1, 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P260 Do not breathe dust/fume/gas/mist/vapors/spray; P262 Do not get in eyes, on skin, or on clothing; P264 Wash skin thoroughly after handling; P271 Use only outdoors or in a well-ventilated area; P284 Wear respiratory protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

1,2-Ethanedithiol

RN given refers to 1,2-isomer; RN in Chemline for cpd without locants for thiol groups: 26914-70-9

CAS Number540-63-6
PubChem CID10902
IUPAC Nameethane-1,2-dithiol
Molecular FormulaC2H6S2
Molecular Weight94.20
XLogP0.8
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count4
Formal Charge0
Complexity6
SMILES
C(CS)S
InChI
InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2
InChIKey
VYMPLPIFKRHAAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Ethanedithiol
CAS: 540-63-6
CID: 10902
Formula: C2H6S2
MW: 94.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight94.20
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass93.99109254
Monoisotopic Mass93.99109254
Topological Polar Surface Area2 Ų
Heavy Atom Count4
Formal Charge0
Complexity6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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