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Home > Nitro Compounds > 66138-16-7
66138-16-7 | 4-nitrobenzyl mercaptan S-sulfate
CAS No: 66138-16-7 Catalog No: AG00FXDM MDL No:
Product Description
Catalog Number:
AG00FXDM
Chemical Name:
4-nitrobenzyl mercaptan S-sulfate
CAS Number:
66138-16-7
IUPAC Name:
1-nitro-4-(sulfosulfanylmethyl)benzene
InChI:
InChI=1S/C7H7NO5S2/c9-8(10)7-3-1-6(2-4-7)5-14-15(11,12)13/h1-4H,5H2,(H,11,12,13)
InChI Key:
MILSHAWIUIPRBH-UHFFFAOYSA-N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.255g/mol
Monoisotopic Mass:
248.977g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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