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80008-55-5 | 6,7-DIHYDROPYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-7-OL
CAS No: 80008-55-5 Catalog No: AG005DS3 MDL No:
Product Description
Catalog Number:
AG005DS3
Chemical Name:
6,7-DIHYDROPYRROLO[2,1-D][1,5]BENZOTHIAZEPIN-7-OL
CAS Number:
80008-55-5
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-ol
InChI:
InChI=1S/C12H11NOS/c14-11-8-15-12-6-2-1-4-10(12)13-7-3-5-9(11)13/h1-7,11,14H,8H2
InChI Key:
OURJFZBVOQLNDN-UHFFFAOYSA-N
SMILES:
OC1CSc2c(n3c1ccc3)cccc2
NSC Number:
363826
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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