Home Other Building Blocks 1,2-Butanedithiol

1,2-Butanedithiol

CAS No.:
16128-68-0
Catalog Number:
AG001SB0
Molecular Formula:
C4H10S2
Molecular Weight:
122.2522
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Product Description
Catalog Number:
AG001SB0
Chemical Name:
1,2-Butanedithiol
CAS Number:
16128-68-0
Molecular Formula:
C4H10S2
Molecular Weight:
122.2522
MDL Number:
MFCD00039649
IUPAC Name:
butane-1,2-dithiol
InChI:
InChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
InChI Key:
LFTMJBWNOFFSRW-UHFFFAOYSA-N
SMILES:
CCC(CS)S
EC Number:
240-290-8
FEMA Number:
3528
Properties
Complexity:
28.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.022g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
122.244g/mol
Monoisotopic Mass:
122.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties