Home Halogens ethyl N-{[(4-bromophenyl)methyl]carbamothioyl}carbamate

ethyl N-{[(4-bromophenyl)methyl]carbamothioyl}carbamate

CAS No.:
1443981-89-2
Catalog Number:
AG01A5NE
Molecular Formula:
C11H13BrN2O2S
Molecular Weight:
317.2021
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Product Description
Catalog Number:
AG01A5NE
Chemical Name:
ethyl N-{[(4-bromophenyl)methyl]carbamothioyl}carbamate
CAS Number:
1443981-89-2
Molecular Formula:
C11H13BrN2O2S
Molecular Weight:
317.2021
MDL Number:
MFCD24842983
IUPAC Name:
ethyl N-[(4-bromophenyl)methylcarbamothioyl]carbamate
InChI:
InChI=1S/C11H13BrN2O2S/c1-2-16-11(15)14-10(17)13-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H2,13,14,15,17)
InChI Key:
CUQGYWYUYZSEAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC(=S)NCc1ccc(cc1)Br
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.988g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
317.201g/mol
Monoisotopic Mass:
315.988g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties