Chemical ID: 5187120

c1ccc(cc1)C(=O)NC(=S)N2CC2
Chemical ID:
5187120
Name [?]:
N-aziridin-1-ylcarbothioylbenzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(=S)N2CC2
InChi [?]:
InChI=1/C10H10N2OS/c13-9(8-4-2-1-3-5-8)11-10(14)12-6-7-12/h1-5H,6-7H2,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,4,7,10,9,12,8,11/E:(2,3)(4,5)(6,7)/rA:14nCCCCCCCONCSNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s10;s12;s12s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.44871
Area:384.32
Solvation:-2.15929
Coulombic:-29.5938
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.265
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.47

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Descriptor Annotations

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