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Chemical ID: 5119381
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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