Chemical ID: 4343179

C=CCSc1[nH]c(=O)c2c3c(sc2n1)CCC3
Chemical ID:
4343179
Name [?]:
None
SMILES [?]:
C=CCSc1[nH]c(=O)c2c3c(sc2n1)CCC3
InChi [?]:
InChI=1/C12H12N2OS2/c1-2-6-16-12-13-10(15)9-7-4-3-5-8(7)17-11(9)14-12/h2H,1,3-6H2,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,3,10,11,9,7,13,5,6,14,8,4,12/rA:17nCCCSCNCOCCCSCNCCC/rB:d1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d9s12;d5s13;s11;s15;s10s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2OS2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.72789
Area:439.064
Solvation:-1.2487
Coulombic:-29.7019
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.369
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.95
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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