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137046-61-8 | 4H-Thieno[3,2-b]azepine-5,8-dione, 6,7-dihydro-
CAS No: 137046-61-8 Catalog No: AG0012RO MDL No:MFCD22064789
Product Description
Catalog Number:
AG0012RO
Chemical Name:
4H-Thieno[3,2-b]azepine-5,8-dione, 6,7-dihydro-
CAS Number:
137046-61-8
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD22064789
IUPAC Name:
6,7-dihydro-4H-thieno[3,2-b]azepine-5,8-dione
InChI:
InChI=1S/C8H7NO2S/c10-6-1-2-7(11)9-5-3-4-12-8(5)6/h3-4H,1-2H2,(H,9,11)
InChI Key:
JQIAMULIXYHWGW-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)c2c(N1)ccs2
NSC Number:
641165
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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