Chemical ID: 7164711

c1cc(sc1)Cc2n[n-]nn2
Chemical ID:
7164711
Name [?]:
5-(2-thienylmethyl)-1,2,4-triaza-3-azanidacyclopenta-1,4-diene
SMILES [?]:
c1cc(sc1)Cc2n[n-]nn2
InChi [?]:
InChI=1/C6H5N4S/c1-2-5(11-3-1)4-6-7-9-10-8-6/h1-3H,4H2/q-1
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,7,8,11,9,10,4/E:(7,8)(9,10)/CRV:9-1/rA:11nCCCSCCCNN-NN/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N4S-
All Atoms:16
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-32.1575
Area:320.761
Solvation:-40.1765
Coulombic:36.3681
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:165.197
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.03
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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