Chemical ID: 6448521

CSc1cc2ccsc2s1
Chemical ID:
6448521
Name [?]:
7-methylsulfanyl-4,6-dithiabicyclo[3.3.0]octa-2,7,9-triene
SMILES [?]:
CSc1cc2ccsc2s1
InChi [?]:
InChI=1/C7H6S3/c1-8-6-4-5-2-3-9-7(5)10-6/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,4,5,3,9,2,8,10/rA:10nCSCCCCCSCS/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;s3s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6S3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:7.64465
Area:332.353
Solvation:-0.66418
Coulombic:-2.86476
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:186.321
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.14
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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