Chemical ID: 4624657

CCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3
Chemical ID:
4624657
Name [?]:
None
SMILES [?]:
CCSc1[nH]c(=O)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C12H14N2OS2/c1-2-16-12-13-10(15)9-7-5-3-4-6-8(7)17-11(9)14-12/h2-6H2,1H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,9,10,8,6,12,4,5,13,7,3,11/rA:17nCCSCNCOCCCSCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d8s11;d4s12;s10;s14;s15;s9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2OS2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.63352
Area:430.573
Solvation:-1.13082
Coulombic:-28.5932
Bond Count [?]
All:19
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:266.384
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.53
LogP (Chemaxon):3.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue