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866156-29-8 | 3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS No: 866156-29-8 Catalog No: AG00IZV4 MDL No:MFCD05669861
Product Description
Catalog Number:
AG00IZV4
Chemical Name:
3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS Number:
866156-29-8
Molecular Formula:
C15H10N2O3S2
Molecular Weight:
330.3815
MDL Number:
MFCD05669861
IUPAC Name:
3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C15H10N2O3S2/c18-12-9-7-10(9)13(19)16(12)17-14(20)11(22-15(17)21)6-8-4-2-1-3-5-8/h1-6,9-10H,7H2
InChI Key:
UQFVECUAHPNBRR-UHFFFAOYSA-N
SMILES:
S=C1S/C(=C\c2ccccc2)/C(=O)N1N1C(=O)C2C(C1=O)C2
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.013g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.376g/mol
Monoisotopic Mass:
330.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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