2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-


Chemical Name: 2,3-Butanediol, 1,4-dimercapto-, (2R,3S)-rel-
CAS Number: 6892-68-8
Product Number: AG00IBVT(AGN-PC-0TU19O)
Synonyms:
MDL No:
Molecular Formula: C4H10O2S2
Molecular Weight: 154.2510

Identification/Properties


Computed Properties
Molecular Weight:
154.242g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
154.012g/mol
Monoisotopic Mass:
154.012g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
52
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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