chempirical

Y6-1

C56H82N4S5CAS 2304444-52-6971.60 g/mol

Open in Covalent MOL file
SSNNSNNSS

Properties

Molecular formula
C56H82N4S5
Molar mass
971.60 g/mol
Exact mass
970.5143 Da
logP
21.04Crippen estimate
Polar surface area
35.6 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
32

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2304444-52-6
SMILES
CCCCCCCCCCCC1=CSC2=C1SC3=C2N(C4=C3C5=NSN=C5C6=C4N(C7=C6SC8=C7SC=C8CCCCCCCCCCC)CC(CC)CCCC)CC(CC)CCCC
InChIKey
ATGJDGKDVLMMIS-UHFFFAOYSA-N
InChI
InChI=1S/C56H82N4S5/c1-7-13-17-19-21-23-25-27-29-33-41-37-61-55-49-53(63-51(41)55)43-45-46(58-65-57-45)44-48(47(43)59(49)35-39(11-5)31-15-9-3)60(36-40(12-6)32-16-10-4)50-54(44)64-52-42(38-62-56(50)52)34-30-28-26-24-22-20-18-14-8-2/h37-40H,7-36H2,1-6H3

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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