Chemical ID: 6419558

CSc1c2ccccc2nnn1
Chemical ID:
6419558
Name [?]:
10-methylsulfanyl-7,8,9-triazabicyclo[4.4.0]deca-2,4,7,9,11-pentaene
SMILES [?]:
CSc1c2ccccc2nnn1
InChi [?]:
InChI=1/C8H7N3S/c1-12-8-6-4-2-3-5-7(6)9-11-10-8/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,4,9,3,10,12,11,2/rA:12nCSCCCCCCCNNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.20459
Area:326.908
Solvation:-0.968115
Coulombic:-5.56745
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.227
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.3
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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