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1,3-Propanedithiol

CAT: 0286-P25250-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-P25250-01Size:5 g
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CAS Number
109-80-8
Synonyms
1,3-Dimercaptopropane; Dithiotrimethyleneglycol; Trimethylenedimercaptan; Trimethylenedithioglycol
UN Code
UN3334
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004904
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Aviation Regulated Liquid, N.O.S.
DOT Classification
Class 9
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; 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.

Chemical Information

1,3-Propanedithiol

Propane-1,3-dithiol is a dithiol that is propane substituted by thiol groups at positions 1 ans 3.

CAS Number109-80-8
PubChem CID8013
IUPAC Namepropane-1,3-dithiol
Molecular FormulaC3H8S2
Molecular Weight108.23
XLogP1.2
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity12
SMILES
C(CS)CS
InChI
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Propanedithiol
CAS: 109-80-8
CID: 8013
Formula: C3H8S2
MW: 108.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.23
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass108.00674260
Monoisotopic Mass108.00674260
Topological Polar Surface Area2 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
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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DBA781921,1,3,3-Tetramethyl propane-1,1,3,3-tetracarboxylate
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