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20419-41-4 | Thiazolo[4,5-i][1,5]benzothiazepine (8CI,9CI)
CAS No: 20419-41-4 Catalog No: AG0029B9 MDL No:
Product Description
Catalog Number:
AG0029B9
Chemical Name:
Thiazolo[4,5-i][1,5]benzothiazepine (8CI,9CI)
CAS Number:
20419-41-4
Molecular Formula:
C10H6N2S2
Molecular Weight:
218.2980
IUPAC Name:
[1,3]thiazolo[4,5-i][1,5]benzothiazepine
InChI:
InChI=1S/C10H6N2S2/c1-4-11-7-2-3-8-10(14-6-12-8)9(7)13-5-1/h1-6H
InChI Key:
MZZNPIUTPZQQHP-UHFFFAOYSA-N
SMILES:
C1=CSc2c(N=C1)ccc1c2scn1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.292g/mol
Monoisotopic Mass:
217.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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