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4532-64-3 | 2,3-Dimercaptobutane
CAS No: 4532-64-3 Catalog No: AG003FJC MDL No:MFCD00010024
Product Description
Catalog Number:
AG003FJC
Chemical Name:
2,3-Dimercaptobutane
CAS Number:
4532-64-3
Molecular Formula:
C4H10S2
Molecular Weight:
122.2522
MDL Number:
MFCD00010024
IUPAC Name:
butane-2,3-dithiol
InChI:
InChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3
InChI Key:
TWWSEEHCVDRRRI-UHFFFAOYSA-N
SMILES:
CC(C(S)C)S
EC Number:
224-870-8
FEMA Number:
3477
Properties
Complexity:
30.5
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:
1
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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