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Chemical ID: 6466597
Chemical ID:
6466597
Name [?]:
2,3-bis(methylsulfanyl)cyclobut-2-ene-1,4-dione
SMILES [?]:
CSc1c(=O)c(=O)c1SC
InChi [?]:
InChI=1/C6H6O2S2/c1-9-5-3(7)4(8)6(5)10-2/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,6,3,8,5,7,2,9/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:10nCSCCOCOCSC/rB:s1;s2;s3;d4;s4;d6;d3s6;s8;s9;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6O2S2 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2004 |
Area: | 328.749 |
Solvation: | -2.01832 |
Coulombic: | -17.6901 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 174.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.82 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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