Chemical ID: 5196919

CCCCNS(=O)(=O)c1ccc(cc1)C(=S)N
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

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Descriptor Annotations

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