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20365-60-0 | 1,2-Dithiol-1-ium, 3,5-dimethyl-, bromide (1:1)
CAS No: 20365-60-0 Catalog No: AG00292J MDL No:
Product Description
Catalog Number:
AG00292J
Chemical Name:
1,2-Dithiol-1-ium, 3,5-dimethyl-, bromide (1:1)
CAS Number:
20365-60-0
Molecular Formula:
C5H7BrS2
Molecular Weight:
211.1431
IUPAC Name:
3,5-dimethyldithiol-1-ium;bromide
InChI:
InChI=1S/C5H7S2.BrH/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H/q+1;/p-1
InChI Key:
JKMNRECQORTLKS-UHFFFAOYSA-M
SMILES:
Cc1[s+]sc(c1)C.[Br-]
NSC Number:
290504
Properties
Complexity:
55.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.917g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.135g/mol
Monoisotopic Mass:
209.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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