Chemical ID: 6190458

c1ccc2c(c1)N3CCS(=O)(=O)N=C3S2
Chemical ID:
6190458
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)N3CCS(=O)(=O)N=C3S2
InChi [?]:
InChI=1/C9H8N2O2S2/c12-15(13)6-5-11-7-3-1-2-4-8(7)14-9(11)10-15/h1-4H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,5,4,14,13,7,11,12,15,10/E:(12,13)/CRV:15.6/rA:15nCCCCCCNCCSOONCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;d10;s10;s7d13;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2S2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.6009
Area:370.969
Solvation:-2.67333
Coulombic:-12.4181
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:240.304
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.86
LogP (Chemaxon):2.48

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Descriptor Annotations

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