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2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-3aH,4H,6H,6aH-5??-thieno[3,4-d][1,3]thiazole-5,5-dione

2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-3aH,4H,6H,6aH-5??-thieno[3,4-d][1,3]thiazole-5,5-dione

Formula: C12H13N3O2S2

SMILES: O=S1(=O)CC2SC(NN=CC3=CC=CC=C3)=NC2C1

IUPAC: 2-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]-3aH,4H,6H,6aH-5??-thieno[3,4-d][1,3]thiazole-5,5-dione

InChI: InChI=1/C12H13N3O2S2/c16-19(17)7-10-11(8-19)18-12(14-10)15-13-6-9-4-2-1-3-5-9/h1-6,10-11H,7-8H2,(H,14,15)/b13-6+

Composition: C (48.80%), H (4.44%), N (14.23%), O (10.83%), S (21.71%)

Molar Mass: 295.38

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 295.044919019
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CKWZPRNOZDFSSE-AWNIVKPZNA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.26
Topological Polar Surface Area 70.89
Polarizability 29.8
Ring Count 3
Rotatable Bond Count 2

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H13N3O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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