Chemical ID: 5281116

Cc1nnc(s1)SCSc2nc3ccccc3s2
Chemical ID:
5281116
Name [?]:
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethylsulfanyl]benzothiazole
SMILES [?]:
Cc1nnc(s1)SCSc2nc3ccccc3s2
InChi [?]:
InChI=1/C11H9N3S4/c1-7-13-14-11(17-7)16-6-15-10-12-8-4-2-3-5-9(8)18-10/h2-5H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,8,2,12,17,10,5,11,3,4,9,7,6,18/rA:18nCCNNCSSCSCNCCCCCCS/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3S4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.6369
Area:483.709
Solvation:-1.45579
Coulombic:-12.8905
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:311.473
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.51
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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