Chemical ID: 4668915

c1ccc(cc1)Sc2[nH]ncn2
Chemical ID:
4668915
Name [?]:
3-phenylsulfanyl-2H-1,2,4-triazole
SMILES [?]:
c1ccc(cc1)Sc2[nH]ncn2
InChi [?]:
InChI=1/C8H7N3S/c1-2-4-7(5-3-1)12-8-9-6-10-11-8/h1-6H,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,8,12,10,9,7/E:(2,3)(4,5)/rA:12nCCCCCCSCNNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.82807
Area:335.066
Solvation:-1.54857
Coulombic:-17.8456
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.227
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.14
LogP (Chemaxon):2.98

Name Annotations

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Descriptor Annotations

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