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1003-76-5 | 1,2,3,4,6,7,5,8-Hexathiadiazocine (7CI,8CI,9CI)
CAS No: 1003-76-5 Catalog No: AG0001I4 MDL No:
Product Description
Catalog Number:
AG0001I4
Chemical Name:
1,2,3,4,6,7,5,8-Hexathiadiazocine (7CI,8CI,9CI)
CAS Number:
1003-76-5
Molecular Formula:
H2N2S6
Molecular Weight:
222.4193
IUPAC Name:
1,2,3,4,6,7,5,8-hexathiadiazocane
InChI:
InChI=1S/H2N2S6/c1-3-4-2-6-8-7-5-1/h1-2H
InChI Key:
PTNWVMGJXVSVOZ-UHFFFAOYSA-N
SMILES:
S1SNSSSSN1
Properties
Complexity:
46.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.854g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.39g/mol
Monoisotopic Mass:
221.854g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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