Chemical ID: 5579161

Cc1c(n2c(n1)SCC2)C=O
Chemical ID:
5579161
Name [?]:
7-methyl-4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-diene-8-carbaldehyde
SMILES [?]:
Cc1c(n2c(n1)SCC2)C=O
InChi [?]:
InChI=1/C7H8N2OS/c1-5-6(4-10)9-2-3-11-7(9)8-5/h4H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,2,3,5,6,4,11,7/rA:11nCCCNCNSCCCO/rB:s1;d2;s3;s4;s2d5;s5;s7;s4s8;s3;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.34936
Area:312.178
Solvation:-2.45508
Coulombic:-18.9845
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:168.217
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.0
LogP (Chemaxon):0.74

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Descriptor Annotations

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