2,3-Butanedithiol


Chemical Name: 2,3-Butanedithiol
CAS Number: 4532-64-3
Product Number: AG003FJC(AGN-PC-00K3A1)
Synonyms:
MDL No:
Molecular Formula: C4H10S2
Molecular Weight: 122.2522

Identification/Properties


Properties
BP:
168.4°C at 760 mmHg
Form:
Liquid
Computed Properties
Molecular Weight:
122.244g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
122.022g/mol
Monoisotopic Mass:
122.022g/mol
Topological Polar Surface Area:
2A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
30.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3336
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P210-P305+P351+P338-P370+P378
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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