Chemical ID: 5196916

CCNS(=O)(=O)c1ccc(cc1)C(=S)N
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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Descriptor Annotations

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