Chemical ID: 6142828

Cc1c(sc2c1c(=O)sc(n2)N)C
Chemical ID:
6142828
Name [?]:
3-amino-7,8-dimethyl-4,9-dithia-2-azabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)sc(n2)N)C
InChi [?]:
InChI=1/C8H8N2OS2/c1-3-4(2)12-6-5(3)7(11)13-8(9)10-6/h1-2H3,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,13,2,3,6,5,7,10,12,11,8,4,9/rA:13nCCCSCCCOSCNNC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s10;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2OS2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.50679
Area:353.885
Solvation:-1.34033
Coulombic:-31.8011
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:212.294
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.07
LogP (Chemaxon):1.93

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