Chemical ID: 3990895

Cc1c(n2ccsc2n1)C=O
Chemical ID:
3990895
Name [?]:
7-methyl-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-8-carbaldehyde
SMILES [?]:
Cc1c(n2ccsc2n1)C=O
InChi [?]:
InChI=1/C7H6N2OS/c1-5-6(4-10)9-2-3-11-7(9)8-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,10,2,3,8,9,4,11,7/rA:11nCCCNCCSCNCO/rB:s1;d2;s3;s4;d5;s6;s4s7;s2d8;s3;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N2OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.42203
Area:308.75
Solvation:-2.29672
Coulombic:-18.6618
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:166.201
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.25
LogP (Chemaxon):0.6

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Descriptor Annotations

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