Chemical ID: 5221850

c1ccc(cc1)CSc2[nH]nnn2
Chemical ID:
5221850
Name [?]:
5-benzylsulfanyl-1H-tetrazole
SMILES [?]:
c1ccc(cc1)CSc2[nH]nnn2
InChi [?]:
InChI=1/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,9,10,13,11,12,8/E:(2,3)(4,5)(9,10)(11,12)/rA:13nCCCCCCCSCNNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;d9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.8443
Area:363.41
Solvation:-1.24095
Coulombic:-12.2988
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.242
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.41
LogP (Chemaxon):2.53

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