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Home > Other Heterocycles > 477871-63-9
477871-63-9 | 3'-(thiophen-2-yl)-3,5-dihydro-1H-spiro[2-benzothiepine-4,2'-oxirane]-5-one
CAS No: 477871-63-9 Catalog No: AG00IOJC MDL No:MFCD02102420
Product Description
Catalog Number:
AG00IOJC
Chemical Name:
3'-(thiophen-2-yl)-3,5-dihydro-1H-spiro[2-benzothiepine-4,2'-oxirane]-5-one
CAS Number:
477871-63-9
Molecular Formula:
C15H12O2S2
Molecular Weight:
288.3846
MDL Number:
MFCD02102420
IUPAC Name:
3'-thiophen-2-ylspiro[1,3-dihydro-2-benzothiepine-4,2'-oxirane]-5-one
InChI:
InChI=1S/C15H12O2S2/c16-13-11-5-2-1-4-10(11)8-18-9-15(13)14(17-15)12-6-3-7-19-12/h1-7,14H,8-9H2
InChI Key:
KPNUVJYTDMMWSA-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2CSCC21OC2c1cccs1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.379g/mol
Monoisotopic Mass:
288.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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