Chemical ID: 4121226

c1ccc2c(c1)c3c([nH]2)SCCS3
Chemical ID:
4121226
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)SCCS3
InChi [?]:
InChI=1/C10H9NS2/c1-2-4-8-7(3-1)9-10(11-8)13-6-5-12-9/h1-4,11H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,11,5,4,7,8,9,13,10/rA:13nCCCCCCCCNSCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NS2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.71062
Area:347.877
Solvation:-0.986312
Coulombic:-13.9125
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:207.317
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.25
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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