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24774-92-3 | Carbamic acid, N-[(phenylamino)thioxomethyl]-, ethyl ester
CAS No: 24774-92-3 Catalog No: AG002PEO MDL No:
Product Description
Catalog Number:
AG002PEO
Chemical Name:
Carbamic acid, N-[(phenylamino)thioxomethyl]-, ethyl ester
CAS Number:
24774-92-3
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
IUPAC Name:
ethyl N-(phenylcarbamothioyl)carbamate
InChI:
InChI=1S/C10H12N2O2S/c1-2-14-10(13)12-9(15)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13,15)
InChI Key:
LABDDSVDEIPQAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=S)Nc1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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