Chemical ID: 7434734

c1cc2c(cc1N)N=S=N2
Chemical ID:
7434734
Name [?]:
8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1,3,5,7,8-pentaen-4-amine
SMILES [?]:
c1cc2c(cc1N)N=S=N2
InChi [?]:
InChI=1/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,4,7,10,8,9/CRV:10.4/rA:10nCCCCCCNNSN/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3S
All Atoms:15
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.21114
Area:287.843
Solvation:-0.984941
Coulombic:-24.1507
Bond Count [?]
All:11
Single:6
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.19
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.07
LogP (Chemaxon):2.13

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