Chemical ID: 5840936

C=CCn1c(n[nH]c1=S)C2CC2
Chemical ID:
5840936
Name [?]:
4-allyl-5-cyclopropyl-2H-1,2,4-triazole-3-thione
SMILES [?]:
C=CCn1c(n[nH]c1=S)C2CC2
InChi [?]:
InChI=1/C8H11N3S/c1-2-5-11-7(6-3-4-6)9-10-8(11)12/h2,6H,1,3-5H2,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,3,10,5,8,6,7,4,9/E:(3,4)/rA:12nCCCNCNNCSCCC/rB:d1;s2;s3;s4;d5;s6;s4s7;d8;s5;s10;s10s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.61022
Area:352.743
Solvation:-1.20836
Coulombic:-19.4392
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.259
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.28
LogP (Chemaxon):2.28

Name Annotations

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Descriptor Annotations

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