Chemical ID: 3992518

c1ccc2c(c1)c(ncn2)S
Chemical ID:
3992518
Name [?]:
quinazoline-4-thiol
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)
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:C8H6N2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.31061
Area:306.3
Solvation:-1.3469
Coulombic:-13.4002
Bond Count [?]
All:12
Single:7
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:162.213
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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