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128258-75-3 | 1,3-Dithiol-2-one, 4,5-bis[(2-bromoethyl)thio]-
CAS No: 128258-75-3 Catalog No: AG000XXB MDL No:
Product Description
Catalog Number:
AG000XXB
Chemical Name:
1,3-Dithiol-2-one, 4,5-bis[(2-bromoethyl)thio]-
CAS Number:
128258-75-3
Molecular Formula:
C7H8Br2OS4
Molecular Weight:
396.2058
IUPAC Name:
4,5-bis(2-bromoethylsulfanyl)-1,3-dithiol-2-one
InChI:
InChI=1S/C7H8Br2OS4/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h1-4H2
InChI Key:
ODDAPRBXTHQCAF-UHFFFAOYSA-N
SMILES:
BrCCSc1sc(=O)sc1SCCBr
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.78g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.188g/mol
Monoisotopic Mass:
393.782g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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