Chemical ID: 5337152

Cc1cc(n(n1)CCC(=S)N)C
Chemical ID:
5337152
Name [?]:
3-(3,5-dimethylpyrazol-1-yl)propanethioamide
SMILES [?]:
Cc1cc(n(n1)CCC(=S)N)C
InChi [?]:
InChI=1/C8H13N3S/c1-6-5-7(2)11(10-6)4-3-8(9)12/h5H,3-4H2,1-2H3,(H2,9,12)
InChi Info:
AuxInfo=1/1/N:1,12,8,7,3,2,4,9,11,6,5,10/rA:12nCCCCNNCCCSNC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13N3S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.36913
Area:365.076
Solvation:-1.75778
Coulombic:-19.6699
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:183.275
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.36
LogP (Chemaxon):0.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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