Chemical ID: 4301385

c1nc2n(n1)CC(CS2)O
Chemical ID:
4301385
Name [?]:
2-thia-6,7,9-triazabicyclo[4.3.0]nona-7,9-dien-4-ol
SMILES [?]:
c1nc2n(n1)CC(CS2)O
InChi [?]:
InChI=1/C5H7N3OS/c9-4-1-8-5(10-2-4)6-3-7-8/h3-4,9H,1-2H2
InChi Info:
AuxInfo=1/0/N:6,8,1,7,3,2,5,4,10,9/rA:10cCNCNNCCCSO/rB:s1;d2;s3;d1s4;s4;s6;s7;s3s8;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3OS
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:4.92598
Area:291.733
Solvation:-2.36734
Coulombic:-27.9915
Bond Count [?]
All:11
Single:9
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:157.195
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:-0.46
LogP (Chemaxon):0.27

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