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Chemical ID: 5871782
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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