Chemical ID: 4174281

c1cc(sc1)c2csc3c2c(=O)[nH]cn3
Chemical ID:
4174281
Name [?]:
7-(2-thienyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
c1cc(sc1)c2csc3c2c(=O)[nH]cn3
InChi [?]:
InChI=1/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,14,6,3,10,11,9,13,15,12,4,8/rA:15nCCCSCCCSCCCONCN/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;s6d9;s10;d11;s11;s13;s9d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2OS2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.09896
Area:369.75
Solvation:-2.14479
Coulombic:-26.5392
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:234.3
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.93
LogP (Chemaxon):1.82

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