Chemical ID: 5840749

c1csc2n1c(=N)c(cn2)C#N
Chemical ID:
5840749
Name [?]:
5-imino-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-triene-4-carbonitrile
SMILES [?]:
c1csc2n1c(=N)c(cn2)C#N
InChi [?]:
InChI=1/C7H4N4S/c8-3-5-4-10-7-11(6(5)9)1-2-12-7/h1-2,4,9H
InChi Info:
AuxInfo=1/0/N:1,2,11,9,8,6,4,12,7,10,5,3/rA:12nCCSCNCNCCNCN/rB:d1;s2;s3;s1s4;s5;w6;s6;d8;d4s9;s8;t11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4N4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.33502
Area:328.711
Solvation:-1.88275
Coulombic:-26.1344
Bond Count [?]
All:13
Single:8
Double:4
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:176.2
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.75
LogP (Chemaxon):0.47

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Descriptor Annotations

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