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1,2-Butanedithiol 95%

CAT: 0286-B26090-02Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-B26090-02Size:5 g
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CAS Number
16128-68-0
UN Code
UN2810
Pictogram
06 - Acute Toxicity
UDF Signal Word
Danger
MDL Number
MFCD00039649
Hazard Statement
H226 Flammable liquid and vapor; H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation.
DOT Name
Toxic Liquids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGII, PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face 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-Butanedithiol

1,2-Butanedithiol is an alkanethiol.

CAS Number16128-68-0
PubChem CID61829
IUPAC Namebutane-1,2-dithiol
Molecular FormulaC4H10S2
Molecular Weight122.3
XLogP1.8
Topological Polar Surface Area2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity28
SMILES
CCC(CS)S
InChI
InChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
InChIKey
LFTMJBWNOFFSRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Butanedithiol
CAS: 16128-68-0
CID: 61829
Formula: C4H10S2
MW: 122.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.3
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass122.02239267
Monoisotopic Mass122.02239267
Topological Polar Surface Area2 Ų
Heavy Atom Count6
Formal Charge0
Complexity28.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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