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Chemical ID: 5196916
Chemical ID:
5196916
Name [?]:
4-(ethylsulfamoyl)benzenecarbothioamide
SMILES [?]:
CCNS(=O)(=O)c1ccc(cc1)C(=S)N
InChi [?]:
InChI=1/C9H12N2O2S2/c1-2-11-15(12,13)8-5-3-7(4-6-8)9(10)14/h3-6,11H,2H2,1H3,(H2,10,14)
InChi Info:
AuxInfo=1/1/N:1,2,9,11,8,12,10,7,13,15,3,5,6,14,4/E:(3,4)(5,6)(12,13)/CRV:15.6/rA:15nCCNSOOCCCCCCCSN/rB:s1;s2;s3;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O2S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47577 |
Area: | 416.587 |
Solvation: | -1.93892 |
Coulombic: | -29.8438 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.75 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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