Chemical ID: 3992843

CCCCNc1nnc(s1)S
Chemical ID:
3992843
Name [?]:
5-butylamino-1,3,4-thiadiazole-2-thiol
SMILES [?]:
CCCCNc1nnc(s1)S
InChi [?]:
InChI=1/C6H11N3S2/c1-2-3-4-7-5-8-9-6(10)11-5/h2-4H2,1H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,9,5,7,8,11,10/rA:11nCCCCNCNNCSS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H11N3S2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:8.35959
Area:374.461
Solvation:-1.00193
Coulombic:-20.1522
Bond Count [?]
All:11
Single:9
Double:2
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.304
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.68
LogP (Chemaxon):1.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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