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Chemical ID: 5196942
Chemical ID:
5196942
Name [?]:
4-(p-tolylsulfamoyl)benzenecarbothioamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C(=S)N
InChi [?]:
InChI=1/C14H14N2O2S2/c1-10-2-6-12(7-3-10)16-20(17,18)13-8-4-11(5-9-13)14(15)19/h2-9,16H,1H3,(H2,15,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,14,16,4,6,13,17,2,15,5,12,18,20,8,10,11,19,9/E:(2,3)(4,5)(6,7)(8,9)(17,18)/CRV:20.6/rA:20nCCCCCCCNSOOCCCCCCCSN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O2S2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2551 |
Area: | 486.942 |
Solvation: | -1.91844 |
Coulombic: | -30.9529 |
Bond Count [?]
All: | 21 |
Single: | 12 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 306.405 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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