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Chemical ID: 3994584
Chemical ID:
3994584
Name [?]:
None
SMILES [?]:
C1CCc2c(c3c(=S)[nH]c(=S)[nH]c3s2)C1
InChi [?]:
InChI=1/C10H10N2S3/c13-8-7-5-3-1-2-4-6(5)15-9(7)12-10(14)11-8/h1-4H2,(H2,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,15,3,5,4,6,7,13,10,9,12,8,11,14/rA:15nCCCCCCCSNCSNCSC/rB:s1;s2;s3;d4;s5;s6;d7;s7;s9;d10;s10;d6s12;s4s13;s1s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2S3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26876 |
Area: | 393.696 |
Solvation: | -0.573642 |
Coulombic: | -25.3389 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 254.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.98 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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