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Chemical ID: 5196919
Chemical ID:
5196919
Name [?]:
4-(butylsulfamoyl)benzenecarbothioamide
SMILES [?]:
CCCCNS(=O)(=O)c1ccc(cc1)C(=S)N
InChi [?]:
InChI=1/C11H16N2O2S2/c1-2-3-8-13-17(14,15)10-6-4-9(5-7-10)11(12)16/h4-7,13H,2-3,8H2,1H3,(H2,12,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,13,10,14,4,12,9,15,17,5,7,8,16,6/E:(4,5)(6,7)(14,15)/CRV:17.6/rA:17nCCCCNSOOCCCCCCCSN/rB:s1;s2;s3;s4;s5;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2S2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85673 |
Area: | 471.081 |
Solvation: | -1.92031 |
Coulombic: | -30.5699 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.389 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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