Chemical ID: 5340727

Cn1cnnc1SCC#C
Chemical ID:
5340727
Name [?]:
4-methyl-3-prop-2-ynylsulfanyl-1,2,4-triazole
SMILES [?]:
Cn1cnnc1SCC#C
InChi [?]:
InChI=1/C6H7N3S/c1-3-4-10-6-8-7-5-9(6)2/h1,5H,4H2,2H3
InChi Info:
AuxInfo=1/0/N:10,1,9,8,3,6,4,5,2,7/rA:10nCNCNNCSCCC/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7N3S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.39386
Area:321.191
Solvation:-1.63593
Coulombic:-13.2605
Bond Count [?]
All:10
Single:7
Double:2
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:153.206
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.11
LogP (Chemaxon):0.41

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Experimental Annotations

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Descriptor Annotations

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