Chemical ID: 7508803

c1csc2n1cc(n2)C=O
Chemical ID:
7508803
Name [?]:
8-thia-2,5-diazabicyclo[3.3.0]octa-1,3,6-triene-3-carbaldehyde
SMILES [?]:
c1csc2n1cc(n2)C=O
InChi [?]:
InChI=1/C6H4N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,9,7,4,8,5,10,3/rA:10nCCSCNCCNCO/rB:d1;s2;s3;s1s4;s5;d6;d4s7;s7;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4N2OS
All Atoms:14
Heavy Atoms:10
Chiral Atoms:None
ZAP Information [?]
Total:4.12359
Area:296.69
Solvation:-3.29367
Coulombic:-17.5365
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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