Chemical ID: 7118560

c1ccc2c(c1)c(ncn2)[S-]
Chemical ID:
7118560
Name [?]:
quinazoline-4-thiolate
SMILES [?]:
c1ccc2c(c1)c(ncn2)[S-]
InChi [?]:
InChI=1/C8H6N2S/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,5,4,7,10,8,11/rA:11nCCCCCCCNCNS-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5N2S-
All Atoms:16
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-30.8359
Area:306.3
Solvation:-38.4934
Coulombic:8.82453
Bond Count [?]
All:12
Single:7
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.205
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.55
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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