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Chemical ID: 6448566
Chemical ID:
6448566
Name [?]:
None
SMILES [?]:
c1csc2c1C(=O)c3c(ccs3)C2=O
InChi [?]:
InChI=1/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,10,2,11,5,9,6,13,4,8,7,14,3,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCSCCCOCCCCSCO/rB:d1;s2;s3;s1d4;s5;d6;s6;d8;s9;d10;s8s11;s4s9;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H4O2S2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.42682 |
Area: | 358.065 |
Solvation: | -2.52481 |
Coulombic: | -16.7919 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 220.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.99 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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