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13387-16-1

13387-16-1 | Benzo[1,2-d:5,4-d']bisthiazole-2,6(3H,5H)-dione(7CI,8CI)

CAS No: 13387-16-1 Catalog No: AG007MU2 MDL No:

Product Description

Catalog Number:
AG007MU2
Chemical Name:
Benzo[1,2-d:5,4-d']bisthiazole-2,6(3H,5H)-dione(7CI,8CI)
CAS Number:
13387-16-1
Molecular Formula:
C8H10N2O2S2
Molecular Weight:
230.3072
IUPAC Name:
4,12-dithia-6,10-diazatricyclo[7.3.0.03,7]dodecane-5,11-dione
InChI:
InChI=1S/C8H10N2O2S2/c11-7-9-3-1-4-6(2-5(3)13-7)14-8(12)10-4/h3-6H,1-2H2,(H,9,11)(H,10,12)
InChI Key:
IRSIYVALZBKVAS-UHFFFAOYSA-N
SMILES:
O=C1SC2C(N1)CC1C(C2)SC(=O)N1

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.018g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.3g/mol
Monoisotopic Mass:
230.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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