Chemical ID: 4936865

Cc1ccc(cc1)Cc2[nH]c(=S)[nH]n2
Chemical ID:
4936865
Name [?]:
5-(p-tolylmethyl)-2,4-dihydro-1,2,4-triazole-3-thione
SMILES [?]:
Cc1ccc(cc1)Cc2[nH]c(=S)[nH]n2
InChi [?]:
InChI=1/C10H11N3S/c1-7-2-4-8(5-3-7)6-9-11-10(14)13-12-9/h2-5H,6H2,1H3,(H2,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,2,5,9,11,10,14,13,12/E:(2,3)(4,5)/rA:14nCCCCCCCCCNCSNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.02124
Area:385.771
Solvation:-1.62305
Coulombic:-23.0074
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:205.281
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.12
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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