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5-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

5-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

CAS: 591240-87-8

Formula: C16H9ClN2O3S3

SMILES: [O-][N+](=O)C1=C(SC2=CC=C(Cl)C=C2)C=CC(C=C2SC(=S)NC2=O)=C1

IUPAC: 5-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C16H9ClN2O3S3/c17-10-2-4-11(5-3-10)24-13-6-1-9(7-12(13)19(21)22)8-14-15(20)18-16(23)25-14/h1-8H,(H,18,20,23)

Composition: C (47.00%), H (2.22%), Cl (8.67%), N (6.85%), O (11.74%), S (23.52%)

Molar Mass: 408.89

Atom Count: 34

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 407.9463834
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MMIGMPORNZDZMU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 108.02
Topological Polar Surface Area 72.24
Polarizability 40.87
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 591240-87-8 $51.35-$86.31$51.35$63.37$86.31
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