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Home > Nitro Compounds > 1055977-25-7
1055977-25-7 | (5Z)-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 1055977-25-7 Catalog No: AG00IWTL MDL No:MFCD00834846
Product Description
Catalog Number:
AG00IWTL
Chemical Name:
(5Z)-5-{[5-nitro-2-(phenylsulfanyl)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
1055977-25-7
Molecular Formula:
C16H10N2O3S3
Molecular Weight:
374.4572
MDL Number:
MFCD00834846
IUPAC Name:
5-[(5-nitro-2-phenylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H10N2O3S3/c19-15-14(24-16(22)17-15)9-10-8-11(18(20)21)6-7-13(10)23-12-4-2-1-3-5-12/h1-9H,(H,17,19,22)
InChI Key:
OKVPYOOXDLQGKR-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)/C(=C/c2cc(ccc2Sc2ccccc2)[N+](=O)[O-])/S1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.985g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.447g/mol
Monoisotopic Mass:
373.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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