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289499-47-4 | 2(3H)-Benzoxazolone, 6,6'-dithiobis- (9CI)
CAS No: 289499-47-4 Catalog No: AG002X6B MDL No:
Product Description
Catalog Number:
AG002X6B
Chemical Name:
2(3H)-Benzoxazolone, 6,6'-dithiobis- (9CI)
CAS Number:
289499-47-4
Molecular Formula:
C14H8N2O4S2
Molecular Weight:
332.3543
IUPAC Name:
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)disulfanyl]-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C14H8N2O4S2/c17-13-15-9-3-1-7(5-11(9)19-13)21-22-8-2-4-10-12(6-8)20-14(18)16-10/h1-6H,(H,15,17)(H,16,18)
InChI Key:
TZHBVUQISGPCBN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c(o1)cc(cc2)SSc1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.993g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.348g/mol
Monoisotopic Mass:
331.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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