Chemical ID: 6466597

CSc1c(=O)c(=O)c1SC
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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