Chemical ID: 5871782

c1ccc(cc1)C(=O)NC(=S)N
Chemical ID:
5871782
Name [?]:
N-thiocarbamoylbenzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(=S)N
InChi [?]:
InChI=1/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,12,9,8,11/E:(2,3)(4,5)/rA:12nCCCCCCCONCSN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.70211
Area:341.533
Solvation:-1.83622
Coulombic:-39.2148
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.228
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.99
LogP (Chemaxon):1.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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