Chemical ID: 4626400

CCCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3
Chemical ID:
4626400
Name [?]:
None
SMILES [?]:
CCCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C13H16N2OS2/c1-2-7-17-13-14-11(16)10-8-5-3-4-6-9(8)18-12(10)15-13/h2-7H2,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,3,10,11,9,7,13,5,6,14,8,4,12/rA:18nCCCSCNCOCCCSCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d9s12;d5s13;s11;s15;s16;s10s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2OS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.3141
Area:457.597
Solvation:-1.12578
Coulombic:-28.9614
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.411
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.89
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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