Chemical ID: 5119381

c1c2c(nc(n1)N)SCC2
Chemical ID:
5119381
Name [?]:
7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,10-trien-4-amine
SMILES [?]:
c1c2c(nc(n1)N)SCC2
InChi [?]:
InChI=1/C6H7N3S/c7-6-8-3-4-1-2-10-5(4)9-6/h3H,1-2H2,(H2,7,8,9)
InChi Info:
AuxInfo=1/1/N:10,9,1,2,3,5,7,6,4,8/rA:10nCCCNCNNSCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s2s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7N3S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.76323
Area:294.409
Solvation:-1.59699
Coulombic:-27.7462
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:153.206
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.25
LogP (Chemaxon):1.04

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Descriptor Annotations

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