Chemical ID: 5702909

CSc1[nH]c(=S)c2c3c(sc2n1)CCCC3
Chemical ID:
5702909
Name [?]:
None
SMILES [?]:
CSc1[nH]c(=S)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C11H12N2S3/c1-15-11-12-9(14)8-6-4-2-3-5-7(6)16-10(8)13-11/h2-5H2,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,8,9,7,5,11,3,4,12,6,2,10/rA:16nCSCNCSCCCSCNCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d7s10;d3s11;s9;s13;s14;s8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2S3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.76054
Area:417.923
Solvation:-0.687537
Coulombic:-19.7277
Bond Count [?]
All:18
Single:14
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:268.424
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.06
LogP (Chemaxon):3.84

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